2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide

C10H13ClN4OS — CID 106595759

IUPAC2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C10H13ClN4OS/c1-6(2)4-13-8(16)5-14-10-15-9(11)7(3-12)17-10/h6H,4-5H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyMZDBTSHTLPBDJB-UHFFFAOYSA-N
MW272.76 g/mol
LogP1.85
Rot. Bonds5

About 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide

2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 106595759) has the molecular formula C10H13ClN4OS and a molecular weight of 272.76 g/mol. Its IUPAC name is 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide
PubChem CID106595759
Molecular FormulaC10H13ClN4OS
Molecular Weight272.76 g/mol
Exact Mass272.05
IUPAC Name2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C10H13ClN4OS/c1-6(2)4-13-8(16)5-14-10-15-9(11)7(3-12)17-10/h6H,4-5H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyMZDBTSHTLPBDJB-UHFFFAOYSA-N
XLogP1.85
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide (CID 106595759) is 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNc1nc(Cl)c(C#N)s1.
What is the InChIKey of 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is MZDBTSHTLPBDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4OS/c1-6(2)4-13-8(16)5-14-10-15-9(11)7(3-12)17-10/h6H,4-5H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide?
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 272.76 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 106595759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).