2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide

C15H15ClN2OS — CID 110727994

IUPAC2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCc1csc(C2CC2)n1
InChIInChI=1S/C15H15ClN2OS/c16-12-3-1-2-10(6-12)7-14(19)17-8-13-9-20-15(18-13)11-4-5-11/h1-3,6,9,11H,4-5,7-8H2,(H,17,19)
InChIKeyDPUSCDLVIYYECK-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.53
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide

2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 110727994) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID110727994
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCc1csc(C2CC2)n1
InChIInChI=1S/C15H15ClN2OS/c16-12-3-1-2-10(6-12)7-14(19)17-8-13-9-20-15(18-13)11-4-5-11/h1-3,6,9,11H,4-5,7-8H2,(H,17,19)
InChIKeyDPUSCDLVIYYECK-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.53
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-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide (CID 110727994) is 2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide is O=C(Cc1cccc(Cl)c1)NCc1csc(C2CC2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is DPUSCDLVIYYECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-12-3-1-2-10(6-12)7-14(19)17-8-13-9-20-15(18-13)11-4-5-11/h1-3,6,9,11H,4-5,7-8H2,(H,17,19).
What are the key properties of 2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide?
2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 306.82 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 110727994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).