N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide

C19H14BrN3OS — CID 52648387

IUPACN-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide
SMILESCc1cc(Cc2cnc(NC(=O)c3ccc(C#N)cc3)s2)ccc1Br
InChIInChI=1S/C19H14BrN3OS/c1-12-8-14(4-7-17(12)20)9-16-11-22-19(25-16)23-18(24)15-5-2-13(10-21)3-6-15/h2-8,11H,9H2,1H3,(H,22,23,24)
InChIKeyUHWZHNDYHXJSDQ-UHFFFAOYSA-N
MW412.31 g/mol
LogP4.93
Rot. Bonds4

About N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide

N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide (PubChem CID 52648387) has the molecular formula C19H14BrN3OS and a molecular weight of 412.31 g/mol. Its IUPAC name is N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide
PubChem CID52648387
Molecular FormulaC19H14BrN3OS
Molecular Weight412.31 g/mol
Exact Mass411.00
IUPAC NameN-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide
SMILESCc1cc(Cc2cnc(NC(=O)c3ccc(C#N)cc3)s2)ccc1Br
InChIInChI=1S/C19H14BrN3OS/c1-12-8-14(4-7-17(12)20)9-16-11-22-19(25-16)23-18(24)15-5-2-13(10-21)3-6-15/h2-8,11H,9H2,1H3,(H,22,23,24)
InChIKeyUHWZHNDYHXJSDQ-UHFFFAOYSA-N
XLogP4.93
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide 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-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 55845141
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 86920236
4-acetyl-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1H-pyrrole-2-carboxamide
CID 55845271
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-4-[ethyl(methyl)amino]benzamide
CID 86850729
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide
CID 78886727
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 86920266
4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119295773
3-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122093549
4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 2130333
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 44544991
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55843482

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide?
The IUPAC name of N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide (CID 52648387) is N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide.
What is the SMILES notation for N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide?
The canonical SMILES for N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide is Cc1cc(Cc2cnc(NC(=O)c3ccc(C#N)cc3)s2)ccc1Br.
What is the InChIKey of N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide?
The InChIKey is UHWZHNDYHXJSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3OS/c1-12-8-14(4-7-17(12)20)9-16-11-22-19(25-16)23-18(24)15-5-2-13(10-21)3-6-15/h2-8,11H,9H2,1H3,(H,22,23,24).
What are the key properties of N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide?
N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide has a molecular weight of 412.31 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide is sourced from PubChem (CID 52648387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).