N-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C24H19ClN2O2S — CID 1172659

IUPACN-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3ccccc3Cl)n2)cc1
InChIInChI=1S/C24H19ClN2O2S/c1-29-19-13-11-18(12-14-19)22-16-30-24(26-22)27(15-17-7-3-2-4-8-17)23(28)20-9-5-6-10-21(20)25/h2-14,16H,15H2,1H3
InChIKeyRKNJNDYMCZXATO-UHFFFAOYSA-N
MW434.95 g/mol
LogP6.32
Rot. Bonds6

About N-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

N-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 1172659) has the molecular formula C24H19ClN2O2S and a molecular weight of 434.95 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID1172659
Molecular FormulaC24H19ClN2O2S
Molecular Weight434.95 g/mol
Exact Mass434.09
IUPAC NameN-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3ccccc3Cl)n2)cc1
InChIInChI=1S/C24H19ClN2O2S/c1-29-19-13-11-18(12-14-19)22-16-30-24(26-22)27(15-17-7-3-2-4-8-17)23(28)20-9-5-6-10-21(20)25/h2-14,16H,15H2,1H3
InChIKeyRKNJNDYMCZXATO-UHFFFAOYSA-N
XLogP6.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.95
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 1172659) is N-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3ccccc3Cl)n2)cc1.
What is the InChIKey of N-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is RKNJNDYMCZXATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2S/c1-29-19-13-11-18(12-14-19)22-16-30-24(26-22)27(15-17-7-3-2-4-8-17)23(28)20-9-5-6-10-21(20)25/h2-14,16H,15H2,1H3.
What are the key properties of N-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
N-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 434.95 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1172659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).