N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide

C17H14ClN3OS — CID 35673976

IUPACN-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
SMILESCc1ccc(-c2nc(N)sc2NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClN3OS/c1-10-2-4-11(5-3-10)14-16(23-17(19)20-14)21-15(22)12-6-8-13(18)9-7-12/h2-9H,1H3,(H2,19,20)(H,21,22)
InChIKeyPFSVESGUJILFFZ-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.61
Rot. Bonds3

About N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide

N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide (PubChem CID 35673976) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
PubChem CID35673976
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
SMILESCc1ccc(-c2nc(N)sc2NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClN3OS/c1-10-2-4-11(5-3-10)14-16(23-17(19)20-14)21-15(22)12-6-8-13(18)9-7-12/h2-9H,1H3,(H2,19,20)(H,21,22)
InChIKeyPFSVESGUJILFFZ-UHFFFAOYSA-N
XLogP4.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
CID 51065363
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
4-methyl-N-[2-[[5-[(4-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 45155798
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
4-chloro-N-[2-(cyanomethyl)-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 15497678
4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2806464
N-[5-[(4-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 34306834
N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide
CID 3783171
4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 9094369
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
N-[2-(cyanomethyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-methoxybenzamide
CID 1178645
ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 91900913

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide?
The IUPAC name of N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide (CID 35673976) is N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide?
The canonical SMILES for N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide is Cc1ccc(-c2nc(N)sc2NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide?
The InChIKey is PFSVESGUJILFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-10-2-4-11(5-3-10)14-16(23-17(19)20-14)21-15(22)12-6-8-13(18)9-7-12/h2-9H,1H3,(H2,19,20)(H,21,22).
What are the key properties of N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide?
N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide has a molecular weight of 343.84 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide is sourced from PubChem (CID 35673976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).