2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide

C13H9ClF2N2OS — CID 33301577

IUPAC2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H9ClF2N2OS/c14-8-4-10(16)9(15)3-7(8)12(19)18-13-17-11(5-20-13)6-1-2-6/h3-6H,1-2H2,(H,17,18,19)
InChIKeyNVPRTXMPRLZVOJ-UHFFFAOYSA-N
MW314.74 g/mol
LogP4.20
Rot. Bonds3

About 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide

2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide (PubChem CID 33301577) has the molecular formula C13H9ClF2N2OS and a molecular weight of 314.74 g/mol. Its IUPAC name is 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide
PubChem CID33301577
Molecular FormulaC13H9ClF2N2OS
Molecular Weight314.74 g/mol
Exact Mass314.01
IUPAC Name2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H9ClF2N2OS/c14-8-4-10(16)9(15)3-7(8)12(19)18-13-17-11(5-20-13)6-1-2-6/h3-6H,1-2H2,(H,17,18,19)
InChIKeyNVPRTXMPRLZVOJ-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 54.20
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

2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide
CID 33302941
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
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide
CID 114219527

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide (CID 33301577) is 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide is O=C(Nc1nc(C2CC2)cs1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide?
The InChIKey is NVPRTXMPRLZVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2OS/c14-8-4-10(16)9(15)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-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide?
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide has a molecular weight of 314.74 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide is sourced from PubChem (CID 33301577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).