2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

C19H18N2O2S — CID 3428654

IUPAC2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2csc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C19H18N2O2S/c1-23-16-9-7-15(8-10-16)12-20-19(22)17-13-24-18(21-17)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyNJKXKQBBRSNLTF-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.67
Rot. Bonds6

About 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 3428654) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID3428654
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2csc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C19H18N2O2S/c1-23-16-9-7-15(8-10-16)12-20-19(22)17-13-24-18(21-17)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyNJKXKQBBRSNLTF-UHFFFAOYSA-N
XLogP3.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

FR-122047
CID 196841
2-(4-Methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 4554836
N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2098654
4,5-bis(4-methoxyphenyl)-2-(N,N-dimethylcarbamoyl)thiazole
CID 10021953
1-[[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methylurea
CID 10022853
2-Acetylaminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 10044540
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide
CID 10050685
N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10069331
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide
CID 10364476
2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24779778
2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095483
(S)-benzyl 1-(2-(4-methoxyphenyl)thiazol-4-yl)-5-(sulfamoylamino)pentylcarbamate
CID 44572561

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 3428654) is 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(CNC(=O)c2csc(Cc3ccccc3)n2)cc1.
What is the InChIKey of 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NJKXKQBBRSNLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-23-16-9-7-15(8-10-16)12-20-19(22)17-13-24-18(21-17)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3428654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).