2-(3-chlorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

C14H15ClN2OS — CID 22170738

IUPAC2-(3-chlorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2cccc(Cl)c2)s1
InChIInChI=1S/C14H15ClN2OS/c1-9(2)12-8-16-14(19-12)17-13(18)7-10-4-3-5-11(15)6-10/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)
InChIKeyDOPHXRKPOFGOKG-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.10
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-(3-chlorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 22170738) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID22170738
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name2-(3-chlorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2cccc(Cl)c2)s1
InChIInChI=1S/C14H15ClN2OS/c1-9(2)12-8-16-14(19-12)17-13(18)7-10-4-3-5-11(15)6-10/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)
InChIKeyDOPHXRKPOFGOKG-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 22170738) is 2-(3-chlorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1cnc(NC(=O)Cc2cccc(Cl)c2)s1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DOPHXRKPOFGOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9(2)12-8-16-14(19-12)17-13(18)7-10-4-3-5-11(15)6-10/h3-6,8-9H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(3-chlorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-(3-chlorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 294.81 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 22170738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).