2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide

C14H13ClN2O2S — CID 24712438

IUPAC2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H13ClN2O2S/c15-9-1-5-11(6-2-9)19-7-13-17-12(8-20-13)14(18)16-10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H,16,18)
InChIKeySKFCGWSKNRTELF-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.27
Rot. Bonds5

About 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide

2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide (PubChem CID 24712438) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide
PubChem CID24712438
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H13ClN2O2S/c15-9-1-5-11(6-2-9)19-7-13-17-12(8-20-13)14(18)16-10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H,16,18)
InChIKeySKFCGWSKNRTELF-UHFFFAOYSA-N
XLogP3.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide (CID 24712438) is 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide is O=C(NC1CC1)c1csc(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide?
The InChIKey is SKFCGWSKNRTELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-9-1-5-11(6-2-9)19-7-13-17-12(8-20-13)14(18)16-10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H,16,18).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).