2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C12H10N6OS2 — CID 828374

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1nccs1
InChIInChI=1S/C12H10N6OS2/c19-10(14-11-13-6-7-20-11)8-21-12-15-16-17-18(12)9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14,19)
InChIKeyFIIBXWXZJYUTGC-UHFFFAOYSA-N
MW318.39 g/mol
LogP1.85
Rot. Bonds5

About 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 828374) has the molecular formula C12H10N6OS2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID828374
Molecular FormulaC12H10N6OS2
Molecular Weight318.39 g/mol
Exact Mass318.04
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1nccs1
InChIInChI=1S/C12H10N6OS2/c19-10(14-11-13-6-7-20-11)8-21-12-15-16-17-18(12)9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14,19)
InChIKeyFIIBXWXZJYUTGC-UHFFFAOYSA-N
XLogP1.85
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-Phenyl-3-(2-thiazolyl)-2-thiourea
CID 719408
2-[(2-aminophenyl)thio]-N-1,3-thiazol-2-ylacetamide
CID 859493
2-((1-(4-fluorophenyl)-1H-imidazol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4170205
2-Phenylcarbamoylmethylsulfanyl-N-thiazol-2-yl-acetamide
CID 651375
2-{[1-(3-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 866695
4-[(1-Phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 890044
4-{[(1-phenyl-1H-tetrazol-5-yl)thio]methyl}-N-1,3-thiazol-2-ylbenzamide
CID 980323
2-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2940142
(Z)-N-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)acetamide
CID 3239639
2-{[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 6470620
2-{[4-amino-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 7579802
Urea, n-phenyl-n'-2-thiazolyl-
CID 283977

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 828374) is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1nccs1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FIIBXWXZJYUTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS2/c19-10(14-11-13-6-7-20-11)8-21-12-15-16-17-18(12)9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14,19).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 318.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 828374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).