N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide

C21H22N2O2S — CID 24609849

IUPACN-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(Cc3ccccc3)C(C)C)cs2)cc1
InChIInChI=1S/C21H22N2O2S/c1-15(2)23(13-16-7-5-4-6-8-16)21(24)19-14-26-20(22-19)17-9-11-18(25-3)12-10-17/h4-12,14-15H,13H2,1-3H3
InChIKeyXNVGVEWWETXPGN-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.87
Rot. Bonds6

About N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide

N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 24609849) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID24609849
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(Cc3ccccc3)C(C)C)cs2)cc1
InChIInChI=1S/C21H22N2O2S/c1-15(2)23(13-16-7-5-4-6-8-16)21(24)19-14-26-20(22-19)17-9-11-18(25-3)12-10-17/h4-12,14-15H,13H2,1-3H3
InChIKeyXNVGVEWWETXPGN-UHFFFAOYSA-N
XLogP4.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 24609866
2-(4-methoxyphenyl)-N-methyl-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 55710289
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 46671041
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55550967
2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55670905
2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119802458
N-(3-aminobutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119495584
N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 35541680
N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067949
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 6933840

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 24609849) is N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)N(Cc3ccccc3)C(C)C)cs2)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is XNVGVEWWETXPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-15(2)23(13-16-7-5-4-6-8-16)21(24)19-14-26-20(22-19)17-9-11-18(25-3)12-10-17/h4-12,14-15H,13H2,1-3H3.
What are the key properties of N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24609849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).