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

C16H12ClN3OS — CID 28865171

IUPACN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide
SMILESNc1nc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)cs1
InChIInChI=1S/C16H12ClN3OS/c17-13-4-2-1-3-12(13)15(21)19-11-7-5-10(6-8-11)14-9-22-16(18)20-14/h1-9H,(H2,18,20)(H,19,21)
InChIKeyXLIUHTPQSDJGMB-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.30
Rot. Bonds3

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

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide (PubChem CID 28865171) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide
PubChem CID28865171
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide
SMILESNc1nc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)cs1
InChIInChI=1S/C16H12ClN3OS/c17-13-4-2-1-3-12(13)15(21)19-11-7-5-10(6-8-11)14-9-22-16(18)20-14/h1-9H,(H2,18,20)(H,19,21)
InChIKeyXLIUHTPQSDJGMB-UHFFFAOYSA-N
XLogP4.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide
CID 28865020
2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]benzamide
CID 67321630
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 40547504
2-chloro-N-[4-(4-phenyl-2-pyridinyl)phenyl]benzamide
CID 53484000
2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9246487
methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate
CID 108727336
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,5-dimethoxybenzamide
CID 28865073
2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506421
(E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide
CID 28865321

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide?
The IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide (CID 28865171) is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide?
The canonical SMILES for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide is Nc1nc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)cs1.
What is the InChIKey of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide?
The InChIKey is XLIUHTPQSDJGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c17-13-4-2-1-3-12(13)15(21)19-11-7-5-10(6-8-11)14-9-22-16(18)20-14/h1-9H,(H2,18,20)(H,19,21).
What are the key properties of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide?
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide has a molecular weight of 329.81 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide is sourced from PubChem (CID 28865171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).