N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide

C12H10N6OS — CID 110502623

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H10N6OS/c19-11(6-10-15-17-18-16-10)14-12-13-9(7-20-12)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14,19)(H,15,16,17,18)
InChIKeyNPJYFEPGSQDKTM-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.50
Rot. Bonds4

About N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide

N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110502623) has the molecular formula C12H10N6OS and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110502623
Molecular FormulaC12H10N6OS
Molecular Weight286.32 g/mol
Exact Mass286.06
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H10N6OS/c19-11(6-10-15-17-18-16-10)14-12-13-9(7-20-12)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14,19)(H,15,16,17,18)
InChIKeyNPJYFEPGSQDKTM-UHFFFAOYSA-N
XLogP1.50
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
CID 110502620
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
CID 110502649
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 43951129
N-(4-phenyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2598512
2-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 800348
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
2-(3,4-diethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71713490
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 9421444

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide (CID 110502623) is N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is NPJYFEPGSQDKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS/c19-11(6-10-15-17-18-16-10)14-12-13-9(7-20-12)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14,19)(H,15,16,17,18).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide?
N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 286.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110502623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).