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

C15H13Cl2N3O2S — CID 32866960

IUPAC2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1nc(C2CC2)cs1
InChIInChI=1S/C15H13Cl2N3O2S/c16-9-3-4-10(11(17)5-9)14(22)18-6-13(21)20-15-19-12(7-23-15)8-1-2-8/h3-5,7-8H,1-2,6H2,(H,18,22)(H,19,20,21)
InChIKeyVXHIJSNTZKJWLO-UHFFFAOYSA-N
MW370.26 g/mol
LogP3.70
Rot. Bonds5

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

2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 32866960) has the molecular formula C15H13Cl2N3O2S and a molecular weight of 370.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID32866960
Molecular FormulaC15H13Cl2N3O2S
Molecular Weight370.26 g/mol
Exact Mass369.01
IUPAC Name2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1nc(C2CC2)cs1
InChIInChI=1S/C15H13Cl2N3O2S/c16-9-3-4-10(11(17)5-9)14(22)18-6-13(21)20-15-19-12(7-23-15)8-1-2-8/h3-5,7-8H,1-2,6H2,(H,18,22)(H,19,20,21)
InChIKeyVXHIJSNTZKJWLO-UHFFFAOYSA-N
XLogP3.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 25489845
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide
CID 33301577
4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 32864832
2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide
CID 33302941
2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 31265818
2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324628
2-(2-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 32863339
N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46114064
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 61482373
2-(tert-butylamino)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 47842528
2,4-dichloro-N-[2-[[2-[(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 55931977
3-(2-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 32868458

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide (CID 32866960) is 2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1nc(C2CC2)cs1.
What is the InChIKey of 2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is VXHIJSNTZKJWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2S/c16-9-3-4-10(11(17)5-9)14(22)18-6-13(21)20-15-19-12(7-23-15)8-1-2-8/h3-5,7-8H,1-2,6H2,(H,18,22)(H,19,20,21).
What are the key properties of 2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 370.26 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 32866960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).