2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide

C14H15ClN2OS — CID 110441971

IUPAC2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
SMILESCc1csc(CCCNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C14H15ClN2OS/c1-10-9-19-13(17-10)7-4-8-16-14(18)11-5-2-3-6-12(11)15/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,18)
InChIKeyZSQGTENGLWDIQB-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.47
Rot. Bonds5

About 2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide

2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide (PubChem CID 110441971) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
PubChem CID110441971
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
SMILESCc1csc(CCCNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C14H15ClN2OS/c1-10-9-19-13(17-10)7-4-8-16-14(18)11-5-2-3-6-12(11)15/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,18)
InChIKeyZSQGTENGLWDIQB-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 118762993
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-oxochromene-3-carboxamide
CID 110440714
2-benzyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 70713753
4-(aminomethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 82546122
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 110462196
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63244971
3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 110388471
2-(furan-2-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110484644
2-(4-chlorophenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110442694
(2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide
CID 125176822
2-bromo-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 80979423

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide (CID 110441971) is 2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide is Cc1csc(CCCNC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide?
The InChIKey is ZSQGTENGLWDIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-10-9-19-13(17-10)7-4-8-16-14(18)11-5-2-3-6-12(11)15/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide?
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide has a molecular weight of 294.81 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 110441971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).