2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C19H18ClN3OS — CID 50848207

IUPAC2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(NCc3ccccc3)nc2C)ccc1Cl
InChIInChI=1S/C19H18ClN3OS/c1-12-10-15(8-9-16(12)20)23-18(24)17-13(2)22-19(25-17)21-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyUFJMUGSXYGMLCN-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.28
Rot. Bonds5

About 2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 50848207) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID50848207
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(NCc3ccccc3)nc2C)ccc1Cl
InChIInChI=1S/C19H18ClN3OS/c1-12-10-15(8-9-16(12)20)23-18(24)17-13(2)22-19(25-17)21-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyUFJMUGSXYGMLCN-UHFFFAOYSA-N
XLogP5.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152845
2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944431
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 59369678
N-[(2-chlorophenyl)methyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 53365403
4-methyl-2-[(4-phenylmethoxyphenyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 9149376
N-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152853
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897032
2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53338422
N-(3,4-dichlorophenyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46450785
2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 9233075
2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109303727

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 50848207) is 2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1cc(NC(=O)c2sc(NCc3ccccc3)nc2C)ccc1Cl.
What is the InChIKey of 2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UFJMUGSXYGMLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-12-10-15(8-9-16(12)20)23-18(24)17-13(2)22-19(25-17)21-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 371.89 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50848207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).