2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

C12H9ClN6OS — CID 863218

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1nccs1
InChIInChI=1S/C12H9ClN6OS/c13-9-3-1-8(2-4-9)11-16-18-19(17-11)7-10(20)15-12-14-5-6-21-12/h1-6H,7H2,(H,14,15,20)
InChIKeyNQWXJOGRZXTTTI-UHFFFAOYSA-N
MW320.77 g/mol
LogP2.09
Rot. Bonds4

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 863218) has the molecular formula C12H9ClN6OS and a molecular weight of 320.77 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID863218
Molecular FormulaC12H9ClN6OS
Molecular Weight320.77 g/mol
Exact Mass320.02
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1nccs1
InChIInChI=1S/C12H9ClN6OS/c13-9-3-1-8(2-4-9)11-16-18-19(17-11)7-10(20)15-12-14-5-6-21-12/h1-6H,7H2,(H,14,15,20)
InChIKeyNQWXJOGRZXTTTI-UHFFFAOYSA-N
XLogP2.09
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(6-cyclopropyl-2-pyridinyl)acetamide
CID 138042768
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 1454654
4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23934454
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
CID 78839406
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide
CID 112812582
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2529149
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 2529123
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 5299248
4-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N,N-diethylbenzamide
CID 42016506
N-(4-bromo-2-methylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 26685438
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4775242
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 51364169

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 863218) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1nccs1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is NQWXJOGRZXTTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN6OS/c13-9-3-1-8(2-4-9)11-16-18-19(17-11)7-10(20)15-12-14-5-6-21-12/h1-6H,7H2,(H,14,15,20).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 320.77 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 863218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).