3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide

C14H12Cl2N2OS — CID 95324619

IUPAC3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESO=C(NCc1csc(C2CC2)n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2OS/c15-11-4-3-9(5-12(11)16)13(19)17-6-10-7-20-14(18-10)8-1-2-8/h3-5,7-8H,1-2,6H2,(H,17,19)
InChIKeyJEEVCDFKBRVKLQ-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.26
Rot. Bonds4

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

3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 95324619) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID95324619
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESO=C(NCc1csc(C2CC2)n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2OS/c15-11-4-3-9(5-12(11)16)13(19)17-6-10-7-20-14(18-10)8-1-2-8/h3-5,7-8H,1-2,6H2,(H,17,19)
InChIKeyJEEVCDFKBRVKLQ-UHFFFAOYSA-N
XLogP4.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324628
2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110727994
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 95749522
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
CID 75358505
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 95749571
2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide
CID 75494938
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 95749634
5-[(2-chlorophenoxy)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 95749531
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-methyl-2-(1,2,4-triazol-4-yl)benzamide
CID 146091331
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95749640
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide
CID 95749654

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide (CID 95324619) is 3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide is O=C(NCc1csc(C2CC2)n1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is JEEVCDFKBRVKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c15-11-4-3-9(5-12(11)16)13(19)17-6-10-7-20-14(18-10)8-1-2-8/h3-5,7-8H,1-2,6H2,(H,17,19).
What are the key properties of 3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide?
3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 327.24 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 95324619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).