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

C19H19N3O2S — CID 53152845

IUPAC2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc(NCc2ccccc2)nc1C
InChIInChI=1S/C19H19N3O2S/c1-13-17(18(23)22-15-10-6-7-11-16(15)24-2)25-19(21-13)20-12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyPQQKFIKDHOQDFI-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.32
Rot. Bonds6

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

2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53152845) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53152845
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc(NCc2ccccc2)nc1C
InChIInChI=1S/C19H19N3O2S/c1-13-17(18(23)22-15-10-6-7-11-16(15)24-2)25-19(21-13)20-12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyPQQKFIKDHOQDFI-UHFFFAOYSA-N
XLogP4.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897931
N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 11989668
2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50848207
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897941
2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 59729242
2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897898
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9149311
N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897958
2-(2-fluoro-6-methoxyphenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42535275
2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 11989670
4-methyl-2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 9149279
5-(benzylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109279891

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 53152845) is 2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1ccccc1NC(=O)c1sc(NCc2ccccc2)nc1C.
What is the InChIKey of 2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PQQKFIKDHOQDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-17(18(23)22-15-10-6-7-11-16(15)24-2)25-19(21-13)20-12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53152845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).