2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide

C9H7ClN4OS — CID 114912026

IUPAC2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide
SMILESO=C(Nc1nnns1)C(Cl)c1ccccc1
InChIInChI=1S/C9H7ClN4OS/c10-7(6-4-2-1-3-5-6)8(15)11-9-12-13-14-16-9/h1-5,7H,(H,11,12,14,15)
InChIKeyQCDATORBSDOFDD-UHFFFAOYSA-N
MW254.70 g/mol
LogP1.85
Rot. Bonds3

About 2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide

2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide (PubChem CID 114912026) has the molecular formula C9H7ClN4OS and a molecular weight of 254.70 g/mol. Its IUPAC name is 2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide
PubChem CID114912026
Molecular FormulaC9H7ClN4OS
Molecular Weight254.70 g/mol
Exact Mass254.00
IUPAC Name2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide
SMILESO=C(Nc1nnns1)C(Cl)c1ccccc1
InChIInChI=1S/C9H7ClN4OS/c10-7(6-4-2-1-3-5-6)8(15)11-9-12-13-14-16-9/h1-5,7H,(H,11,12,14,15)
InChIKeyQCDATORBSDOFDD-UHFFFAOYSA-N
XLogP1.85
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 3979206
(2S)-2-amino-N-(thiatriazol-5-yl)propanamide
CID 104982976
(2S)-2-chloro-N-(2-ethylphenyl)-2-phenylacetamide
CID 40554368
(2R)-2-chloro-N-(2-ethylphenyl)-2-phenylacetamide
CID 40554367
2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide
CID 43236531
2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide
CID 43245528
(E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide
CID 19114266
4-phenyl-2-(thiatriazol-5-ylcarbamoylamino)butanoic acid
CID 114920770
2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide
CID 79041942
2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide
CID 43470594
2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide
CID 107594821
3-[(2-chloro-2-phenylacetyl)amino]benzamide
CID 43346587

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide?
The IUPAC name of 2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide (CID 114912026) is 2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide is O=C(Nc1nnns1)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide?
The InChIKey is QCDATORBSDOFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4OS/c10-7(6-4-2-1-3-5-6)8(15)11-9-12-13-14-16-9/h1-5,7H,(H,11,12,14,15).
What are the key properties of 2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide?
2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide has a molecular weight of 254.70 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide is sourced from PubChem (CID 114912026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).