2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole

C111H137N9S7 — CID 159454509

IUPAC2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole
SMILESCC(C)(C)Cc1csc(-c2cccs2)n1.CC(C)(C)c1ccnc(CCc2ccccc2)n1.CC(C)(C)c1nc(-c2cccnc2)cs1.CC1=C(c2csc(C(C)(C)C)n2)Cc2ccccc21.Cc1ccc(-c2csc(C(C)(C)C)n2)cc1.Cc1ccc(-c2csc(C(C)(C)C)n2)cc1.Cc1ccc(CC(C)(C)C)cc1.Cc1cccc(-c2csc(C(C)(C)C)n2)c1
InChIInChI=1S/C17H19NS.C16H20N2.3C14H17NS.C12H14N2S.C12H15NS2.C12H18/c1-11-13-8-6-5-7-12(13)9-14(11)15-10-19-16(18-15)17(2,3)4;1-16(2,3)14-11-12-17-15(18-14)10-9-13-7-5-4-6-8-13;2*1-10-5-7-11(8-6-10)12-9-16-13(15-12)14(2,3)4;1-10-6-5-7-11(8-10)12-9-16-13(15-12)14(2,3)4;1-12(2,3)11-14-10(8-15-11)9-5-4-6-13-7-9;1-12(2,3)7-9-8-15-11(13-9)10-5-4-6-14-10;1-10-5-7-11(8-6-10)9-12(2,3)4/h5-8,10H,9H2,1-4H3;4-8,11-12H,9-10H2,1-3H3;3*5-9H,1-4H3;4-8H,1-3H3;4-6,8H,7H2,1-3H3;5-8H,9H2,1-4H3
InChIKeyLTUJRYCBCVJSOS-UHFFFAOYSA-N
MW1821.85 g/mol
LogP33.28
Rot. Bonds11

About 2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole

2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole (PubChem CID 159454509) has the molecular formula C111H137N9S7 and a molecular weight of 1821.85 g/mol. Its IUPAC name is 2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole
PubChem CID159454509
Molecular FormulaC111H137N9S7
Molecular Weight1821.85 g/mol
Exact Mass1819.90
IUPAC Name2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole
SMILESCC(C)(C)Cc1csc(-c2cccs2)n1.CC(C)(C)c1ccnc(CCc2ccccc2)n1.CC(C)(C)c1nc(-c2cccnc2)cs1.CC1=C(c2csc(C(C)(C)C)n2)Cc2ccccc21.Cc1ccc(-c2csc(C(C)(C)C)n2)cc1.Cc1ccc(-c2csc(C(C)(C)C)n2)cc1.Cc1ccc(CC(C)(C)C)cc1.Cc1cccc(-c2csc(C(C)(C)C)n2)c1
InChIInChI=1S/C17H19NS.C16H20N2.3C14H17NS.C12H14N2S.C12H15NS2.C12H18/c1-11-13-8-6-5-7-12(13)9-14(11)15-10-19-16(18-15)17(2,3)4;1-16(2,3)14-11-12-17-15(18-14)10-9-13-7-5-4-6-8-13;2*1-10-5-7-11(8-6-10)12-9-16-13(15-12)14(2,3)4;1-10-6-5-7-11(8-10)12-9-16-13(15-12)14(2,3)4;1-12(2,3)11-14-10(8-15-11)9-5-4-6-13-7-9;1-12(2,3)7-9-8-15-11(13-9)10-5-4-6-14-10;1-10-5-7-11(8-6-10)9-12(2,3)4/h5-8,10H,9H2,1-4H3;4-8,11-12H,9-10H2,1-3H3;3*5-9H,1-4H3;4-8H,1-3H3;4-6,8H,7H2,1-3H3;5-8H,9H2,1-4H3
InChIKeyLTUJRYCBCVJSOS-UHFFFAOYSA-N
XLogP33.28
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001821.85
LogP ≤ 533.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole (CID 159454509) is 2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole is CC(C)(C)Cc1csc(-c2cccs2)n1.CC(C)(C)c1ccnc(CCc2ccccc2)n1.CC(C)(C)c1nc(-c2cccnc2)cs1.CC1=C(c2csc(C(C)(C)C)n2)Cc2ccccc21.Cc1ccc(-c2csc(C(C)(C)C)n2)cc1.Cc1ccc(-c2csc(C(C)(C)C)n2)cc1.Cc1ccc(CC(C)(C)C)cc1.Cc1cccc(-c2csc(C(C)(C)C)n2)c1.
What is the InChIKey of 2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is LTUJRYCBCVJSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS.C16H20N2.3C14H17NS.C12H14N2S.C12H15NS2.C12H18/c1-11-13-8-6-5-7-12(13)9-14(11)15-10-19-16(18-15)17(2,3)4;1-16(2,3)14-11-12-17-15(18-14)10-9-13-7-5-4-6-8-13;2*1-10-5-7-11(8-6-10)12-9-16-13(15-12)14(2,3)4;1-10-6-5-7-11(8-10)12-9-16-13(15-12)14(2,3)4;1-12(2,3)11-14-10(8-15-11)9-5-4-6-13-7-9;1-12(2,3)7-9-8-15-11(13-9)10-5-4-6-14-10;1-10-5-7-11(8-6-10)9-12(2,3)4/h5-8,10H,9H2,1-4H3;4-8,11-12H,9-10H2,1-3H3;3*5-9H,1-4H3;4-8H,1-3H3;4-6,8H,7H2,1-3H3;5-8H,9H2,1-4H3.
What are the key properties of 2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole?
2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 1821.85 g/mol, XLogP of 33.28, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(3-methyl-1H-inden-2-yl)-1,3-thiazole;2-tert-butyl-4-(3-methylphenyl)-1,3-thiazole;bis(2-tert-butyl-4-(4-methylphenyl)-1,3-thiazole);4-tert-butyl-2-(2-phenylethyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 159454509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).