2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide

C13H9Cl2FN2OS — CID 33302941

IUPAC2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2FN2OS/c14-8-4-9(15)10(16)3-7(8)12(19)18-13-17-11(5-20-13)6-1-2-6/h3-6H,1-2H2,(H,17,18,19)
InChIKeyJKGWRCYGYWFVEO-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.72
Rot. Bonds3

About 2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide

2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide (PubChem CID 33302941) has the molecular formula C13H9Cl2FN2OS and a molecular weight of 331.20 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide
PubChem CID33302941
Molecular FormulaC13H9Cl2FN2OS
Molecular Weight331.20 g/mol
Exact Mass329.98
IUPAC Name2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2FN2OS/c14-8-4-9(15)10(16)3-7(8)12(19)18-13-17-11(5-20-13)6-1-2-6/h3-6H,1-2H2,(H,17,18,19)
InChIKeyJKGWRCYGYWFVEO-UHFFFAOYSA-N
XLogP4.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide
CID 33301577
2,4-dichloro-5-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 18277166
4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 32864832
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoropyridine-3-carboxamide
CID 107358656
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186693
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 32866960
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide
CID 32865039
3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 32869142
2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 113237268
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61479305
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385572

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide (CID 33302941) is 2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide is O=C(Nc1nc(C2CC2)cs1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide?
The InChIKey is JKGWRCYGYWFVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2OS/c14-8-4-9(15)10(16)3-7(8)12(19)18-13-17-11(5-20-13)6-1-2-6/h3-6H,1-2H2,(H,17,18,19).
What are the key properties of 2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide?
2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide has a molecular weight of 331.20 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide is sourced from PubChem (CID 33302941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).