5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole

C93H144N12S3 — CID 158413698

IUPAC5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
SMILESC=CC1=NC(C(C)(C)C)=CC1.C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC(C(C)(C)C)=C1.C=CC1=NCC=C1C(C)(C)C.C=CC1=NCC=C1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1ncc(C(C)(C)C)n1C.Cc1cc(C(C)(C)C)sn1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)s1
InChIInChI=1S/C10H16N2.5C10H15N.C9H14N2.3C8H13NS/c1-6-9-11-7-8(12(9)5)10(2,3)4;1-5-9-6-8(7-11-9)10(2,3)4;2*1-5-9-8(6-7-11-9)10(2,3)4;2*1-5-8-6-7-9(11-8)10(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h6-7H,1H2,2-5H3;3*5-6H,1,7H2,2-4H3;2*5,7H,1,6H2,2-4H3;5-6H,1H2,2-4H3,(H,10,11);3*5H,1-4H3
InChIKeyGZPSVUGVOAKHIZ-UHFFFAOYSA-N
MW1526.46 g/mol
LogP26.65
Rot. Bonds7

About 5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole

5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole (PubChem CID 158413698) has the molecular formula C93H144N12S3 and a molecular weight of 1526.46 g/mol. Its IUPAC name is 5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole.

Molecular Properties

Compound Name5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
PubChem CID158413698
Molecular FormulaC93H144N12S3
Molecular Weight1526.46 g/mol
Exact Mass1525.08
IUPAC Name5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
SMILESC=CC1=NC(C(C)(C)C)=CC1.C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC(C(C)(C)C)=C1.C=CC1=NCC=C1C(C)(C)C.C=CC1=NCC=C1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1ncc(C(C)(C)C)n1C.Cc1cc(C(C)(C)C)sn1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)s1
InChIInChI=1S/C10H16N2.5C10H15N.C9H14N2.3C8H13NS/c1-6-9-11-7-8(12(9)5)10(2,3)4;1-5-9-6-8(7-11-9)10(2,3)4;2*1-5-9-8(6-7-11-9)10(2,3)4;2*1-5-8-6-7-9(11-8)10(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h6-7H,1H2,2-5H3;3*5-6H,1,7H2,2-4H3;2*5,7H,1,6H2,2-4H3;5-6H,1H2,2-4H3,(H,10,11);3*5H,1-4H3
InChIKeyGZPSVUGVOAKHIZ-UHFFFAOYSA-N
XLogP26.65
TPSA146.97 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001526.46
LogP ≤ 526.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole with MolForge

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Launch Full Analysis

Related Compounds

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1,3-thiazol-2-ylmethyl)-1,2-thiazol-5-amine
CID 145971147
4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 95555738
2-[5-(1H-imidazol-2-yl)-2-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-1-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)pyrrol-3-yl]-1,3-thiazole
CID 141270589
1-(1H-imidazol-2-yl)-1,4-bis(1H-pyrazol-5-yl)-2,5-bis(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-3H-thiadiazole
CID 141294157
4-[5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)triazolidin-2-yl]thiadiazole
CID 141328720
4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole
CID 141368941
4-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)cyclohexa-2,4-dien-1-yl]thiadiazole
CID 141394528
5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 157145620
5-(2,2-Dimethylpropyl)-2-methyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole
CID 157522258
5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 157869700
4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole
CID 158230200
2,5-ditert-butyl-1H-imidazole;1,3-ditert-butylpyrrole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene;bis(1,4-ditert-butyltriazole)
CID 158230958

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole?
The IUPAC name of 5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole (CID 158413698) is 5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole.
What is the SMILES notation for 5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole?
The canonical SMILES for 5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole is C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC(C(C)(C)C)=C1.C=CC1=NCC=C1C(C)(C)C.C=CC1=NCC=C1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1ncc(C(C)(C)C)n1C.Cc1cc(C(C)(C)C)sn1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)s1.
What is the InChIKey of 5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole?
The InChIKey is GZPSVUGVOAKHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.5C10H15N.C9H14N2.3C8H13NS/c1-6-9-11-7-8(12(9)5)10(2,3)4;1-5-9-6-8(7-11-9)10(2,3)4;2*1-5-9-8(6-7-11-9)10(2,3)4;2*1-5-8-6-7-9(11-8)10(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h6-7H,1H2,2-5H3;3*5-6H,1,7H2,2-4H3;2*5,7H,1,6H2,2-4H3;5-6H,1H2,2-4H3,(H,10,11);3*5H,1-4H3.
What are the key properties of 5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole?
5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole has a molecular weight of 1526.46 g/mol, XLogP of 26.65, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole is sourced from PubChem (CID 158413698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).