2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide

C12H11N7OS — CID 62788200

IUPAC2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(N)n2)cc1-n1cnnn1
InChIInChI=1S/C12H11N7OS/c1-7-2-3-8(4-10(7)19-6-14-17-18-19)15-11(20)9-5-21-12(13)16-9/h2-6H,1H3,(H2,13,16)(H,15,20)
InChIKeyDHQUTAQIFGJIGC-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.26
Rot. Bonds3

About 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide

2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 62788200) has the molecular formula C12H11N7OS and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID62788200
Molecular FormulaC12H11N7OS
Molecular Weight301.34 g/mol
Exact Mass301.07
IUPAC Name2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(N)n2)cc1-n1cnnn1
InChIInChI=1S/C12H11N7OS/c1-7-2-3-8(4-10(7)19-6-14-17-18-19)15-11(20)9-5-21-12(13)16-9/h2-6H,1H3,(H2,13,16)(H,15,20)
InChIKeyDHQUTAQIFGJIGC-UHFFFAOYSA-N
XLogP1.26
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 46570185
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 61260669
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199836
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2,2-diphenylacetamide
CID 39226018
3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 62728665
4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride
CID 119287688
N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62787747

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 62788200) is 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2csc(N)n2)cc1-n1cnnn1.
What is the InChIKey of 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DHQUTAQIFGJIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7OS/c1-7-2-3-8(4-10(7)19-6-14-17-18-19)15-11(20)9-5-21-12(13)16-9/h2-6H,1H3,(H2,13,16)(H,15,20).
What are the key properties of 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).