2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide

C12H11N7OS — CID 62788208

IUPAC2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2csc(N)n2)c1
InChIInChI=1S/C12H11N7OS/c1-19-10(16-17-18-19)7-3-2-4-8(5-7)14-11(20)9-6-21-12(13)15-9/h2-6H,1H3,(H2,13,15)(H,14,20)
InChIKeyCLOQSNFYLKIUSZ-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.17
Rot. Bonds3

About 2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide

2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 62788208) has the molecular formula C12H11N7OS and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID62788208
Molecular FormulaC12H11N7OS
Molecular Weight301.34 g/mol
Exact Mass301.07
IUPAC Name2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2csc(N)n2)c1
InChIInChI=1S/C12H11N7OS/c1-19-10(16-17-18-19)7-3-2-4-8(5-7)14-11(20)9-6-21-12(13)15-9/h2-6H,1H3,(H2,13,15)(H,14,20)
InChIKeyCLOQSNFYLKIUSZ-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808067
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733195
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688500
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136517028
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634528
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 51304309
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide
CID 41356371

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 62788208) is 2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide is Cn1nnnc1-c1cccc(NC(=O)c2csc(N)n2)c1.
What is the InChIKey of 2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CLOQSNFYLKIUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7OS/c1-19-10(16-17-18-19)7-3-2-4-8(5-7)14-11(20)9-6-21-12(13)15-9/h2-6H,1H3,(H2,13,15)(H,14,20).
What are the key properties of 2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).