2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide

C6H4ClN3OS — CID 166432032

IUPAC2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide
SMILESN#Cc1cnc(NC(=O)CCl)s1
InChIInChI=1S/C6H4ClN3OS/c7-1-5(11)10-6-9-3-4(2-8)12-6/h3H,1H2,(H,9,10,11)
InChIKeyBLAJRDWJMCBLFB-UHFFFAOYSA-N
MW201.64 g/mol
LogP1.19
Rot. Bonds2

About 2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide

2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide (PubChem CID 166432032) has the molecular formula C6H4ClN3OS and a molecular weight of 201.64 g/mol. Its IUPAC name is 2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide
PubChem CID166432032
Molecular FormulaC6H4ClN3OS
Molecular Weight201.64 g/mol
Exact Mass200.98
IUPAC Name2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide
SMILESN#Cc1cnc(NC(=O)CCl)s1
InChIInChI=1S/C6H4ClN3OS/c7-1-5(11)10-6-9-3-4(2-8)12-6/h3H,1H2,(H,9,10,11)
InChIKeyBLAJRDWJMCBLFB-UHFFFAOYSA-N
XLogP1.19
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.64
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 90603616
1-tert-butyl-3-(5-cyano-1,3-thiazol-2-yl)urea
CID 90603690
2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide
CID 166431986
N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 90603537
N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide
CID 90603505
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 90603668
1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea
CID 90603725
(2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide
CID 164639869
N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide
CID 90603554
2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide
CID 90603571
2-chloro-N-[4-chloro-2-[(2-chloroacetyl)amino]-8-cyano-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15180057
N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 90603621

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide (CID 166432032) is 2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide is N#Cc1cnc(NC(=O)CCl)s1.
What is the InChIKey of 2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide?
The InChIKey is BLAJRDWJMCBLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3OS/c7-1-5(11)10-6-9-3-4(2-8)12-6/h3H,1H2,(H,9,10,11).
What are the key properties of 2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide?
2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide has a molecular weight of 201.64 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 166432032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).