4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide

C22H19ClN4O3S — CID 55805399

IUPAC4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C22H19ClN4O3S/c23-18-10-15(8-9-17(18)21(30)25-14-6-7-14)24-19(28)11-16-12-31-22(26-16)27-20(29)13-4-2-1-3-5-13/h1-5,8-10,12,14H,6-7,11H2,(H,24,28)(H,25,30)(H,26,27,29)
InChIKeyGKRHABFQKHXRQV-UHFFFAOYSA-N
MW454.94 g/mol
LogP4.12
Rot. Bonds7

About 4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide

4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide (PubChem CID 55805399) has the molecular formula C22H19ClN4O3S and a molecular weight of 454.94 g/mol. Its IUPAC name is 4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide
PubChem CID55805399
Molecular FormulaC22H19ClN4O3S
Molecular Weight454.94 g/mol
Exact Mass454.09
IUPAC Name4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C22H19ClN4O3S/c23-18-10-15(8-9-17(18)21(30)25-14-6-7-14)24-19(28)11-16-12-31-22(26-16)27-20(29)13-4-2-1-3-5-13/h1-5,8-10,12,14H,6-7,11H2,(H,24,28)(H,25,30)(H,26,27,29)
InChIKeyGKRHABFQKHXRQV-UHFFFAOYSA-N
XLogP4.12
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841922
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
N-[4-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51191490
N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide
CID 41483133
N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 22830480
N-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 26841961
N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 38199475
N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 56547481
N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55807846
N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 41483674
N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 46468648

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide?
The IUPAC name of 4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide (CID 55805399) is 4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide is O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(C(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide?
The InChIKey is GKRHABFQKHXRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S/c23-18-10-15(8-9-17(18)21(30)25-14-6-7-14)24-19(28)11-16-12-31-22(26-16)27-20(29)13-4-2-1-3-5-13/h1-5,8-10,12,14H,6-7,11H2,(H,24,28)(H,25,30)(H,26,27,29).
What are the key properties of 4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide?
4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide has a molecular weight of 454.94 g/mol, XLogP of 4.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide is sourced from PubChem (CID 55805399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).