N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide

C19H18N2OS — CID 108737581

IUPACN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2csc(Cc3ccccc3)n2)c1
InChIInChI=1S/C19H18N2OS/c1-14-6-5-9-16(10-14)19(22)20-12-17-13-23-18(21-17)11-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeySNQSVHWZLHFQBA-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.97
Rot. Bonds5

About N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide (PubChem CID 108737581) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide
PubChem CID108737581
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2csc(Cc3ccccc3)n2)c1
InChIInChI=1S/C19H18N2OS/c1-14-6-5-9-16(10-14)19(22)20-12-17-13-23-18(21-17)11-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeySNQSVHWZLHFQBA-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
CID 108737632
2-[[(3-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380639
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide
CID 108760464
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide
CID 108760512
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
CID 108737631
2-benzyl-4-[[(R)-(3-methylphenyl)methylsulfinyl]methyl]-1,3-thiazole
CID 95064196
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide
CID 154759022
2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole
CID 71935057
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 108760495
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-oxochromene-3-carboxamide
CID 108737563
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 108737586

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide?
The IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide (CID 108737581) is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide.
What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide?
The canonical SMILES for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2csc(Cc3ccccc3)n2)c1.
What is the InChIKey of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide?
The InChIKey is SNQSVHWZLHFQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-14-6-5-9-16(10-14)19(22)20-12-17-13-23-18(21-17)11-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide?
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide has a molecular weight of 322.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide is sourced from PubChem (CID 108737581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).