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

C14H12Cl2N2OS — CID 95324628

IUPAC2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESO=C(NCc1csc(C2CC2)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c15-9-3-4-11(12(16)5-9)13(19)17-6-10-7-20-14(18-10)8-1-2-8/h3-5,7-8H,1-2,6H2,(H,17,19)
InChIKeyMUFBVSXJADPKPM-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.26
Rot. Bonds4

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

2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 95324628) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID95324628
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESO=C(NCc1csc(C2CC2)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c15-9-3-4-11(12(16)5-9)13(19)17-6-10-7-20-14(18-10)8-1-2-8/h3-5,7-8H,1-2,6H2,(H,17,19)
InChIKeyMUFBVSXJADPKPM-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

3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324619
2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide
CID 75494938
2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide
CID 108771045
2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 32866960
2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359542
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-methyl-2-(1,2,4-triazol-4-yl)benzamide
CID 146091331
4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 110728005
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 95749571
4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282058
4-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47290953
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 95749634
2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7518421

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide (CID 95324628) is 2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide is O=C(NCc1csc(C2CC2)n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is MUFBVSXJADPKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c15-9-3-4-11(12(16)5-9)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 2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide?
2,4-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 2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 95324628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).