5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide

C9H11ClN2O2S — CID 160931303

IUPAC5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide
SMILESCc1nc(C(=O)CCCC(N)=O)c(Cl)s1
InChIInChI=1S/C9H11ClN2O2S/c1-5-12-8(9(10)15-5)6(13)3-2-4-7(11)14/h2-4H2,1H3,(H2,11,14)
InChIKeyUCKJFQYKQCBBKY-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.94
Rot. Bonds5

About 5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide

5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide (PubChem CID 160931303) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide.

Molecular Properties

Compound Name5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide
PubChem CID160931303
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide
SMILESCc1nc(C(=O)CCCC(N)=O)c(Cl)s1
InChIInChI=1S/C9H11ClN2O2S/c1-5-12-8(9(10)15-5)6(13)3-2-4-7(11)14/h2-4H2,1H3,(H2,11,14)
InChIKeyUCKJFQYKQCBBKY-UHFFFAOYSA-N
XLogP1.94
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide?
The IUPAC name of 5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide (CID 160931303) is 5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide.
What is the SMILES notation for 5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide?
The canonical SMILES for 5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide is Cc1nc(C(=O)CCCC(N)=O)c(Cl)s1.
What is the InChIKey of 5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide?
The InChIKey is UCKJFQYKQCBBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c1-5-12-8(9(10)15-5)6(13)3-2-4-7(11)14/h2-4H2,1H3,(H2,11,14).
What are the key properties of 5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide?
5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide has a molecular weight of 246.72 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide is sourced from PubChem (CID 160931303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).