2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen

C8H13N5S — CID 142391683

IUPAC2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen
SMILESCCC(C)c1nc(-c2nn[nH]n2)cs1.[H][H]
InChIInChI=1S/C8H11N5S.H2/c1-3-5(2)8-9-6(4-14-8)7-10-12-13-11-7;/h4-5H,3H2,1-2H3,(H,10,11,12,13);1H
InChIKeyIAOBRRDGSRSLEJ-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.08
Rot. Bonds3

About 2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen

2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen (PubChem CID 142391683) has the molecular formula C8H13N5S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen.

Molecular Properties

Compound Name2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen
PubChem CID142391683
Molecular FormulaC8H13N5S
Molecular Weight211.29 g/mol
Exact Mass211.09
IUPAC Name2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen
SMILESCCC(C)c1nc(-c2nn[nH]n2)cs1.[H][H]
InChIInChI=1S/C8H11N5S.H2/c1-3-5(2)8-9-6(4-14-8)7-10-12-13-11-7;/h4-5H,3H2,1-2H3,(H,10,11,12,13);1H
InChIKeyIAOBRRDGSRSLEJ-UHFFFAOYSA-N
XLogP2.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63717442
molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 142506375
ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 145087204
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid
CID 104527038
3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965041
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 107354708
2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62651320
3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965045
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116965067
5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane
CID 142472775
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967292

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen?
The IUPAC name of 2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen (CID 142391683) is 2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen.
What is the SMILES notation for 2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen?
The canonical SMILES for 2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen is CCC(C)c1nc(-c2nn[nH]n2)cs1.[H][H].
What is the InChIKey of 2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen?
The InChIKey is IAOBRRDGSRSLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S.H2/c1-3-5(2)8-9-6(4-14-8)7-10-12-13-11-7;/h4-5H,3H2,1-2H3,(H,10,11,12,13);1H.
What are the key properties of 2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen?
2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen has a molecular weight of 211.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen is sourced from PubChem (CID 142391683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).