N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide

C22H22N2OS — CID 55669656

IUPACN,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
SMILESC=CCN(Cc1ccccc1)C(=O)c1sc(Cc2ccccc2)nc1C
InChIInChI=1S/C22H22N2OS/c1-3-14-24(16-19-12-8-5-9-13-19)22(25)21-17(2)23-20(26-21)15-18-10-6-4-7-11-18/h3-13H,1,14-16H2,2H3
InChIKeyPPWPHWFRPGTSQT-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.87
Rot. Bonds7

About N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide

N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide (PubChem CID 55669656) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
PubChem CID55669656
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC NameN,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
SMILESC=CCN(Cc1ccccc1)C(=O)c1sc(Cc2ccccc2)nc1C
InChIInChI=1S/C22H22N2OS/c1-3-14-24(16-19-12-8-5-9-13-19)22(25)21-17(2)23-20(26-21)15-18-10-6-4-7-11-18/h3-13H,1,14-16H2,2H3
InChIKeyPPWPHWFRPGTSQT-UHFFFAOYSA-N
XLogP4.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 120884822
N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55650103
N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 39084136
2-[(4-chlorophenoxy)methyl]-N-[(3-cyanophenyl)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 60599809
2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55668344
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 55917442
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833
2-benzyl-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 35534310
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057

Frequently Asked Questions

What is the IUPAC name of N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide (CID 55669656) is N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide is C=CCN(Cc1ccccc1)C(=O)c1sc(Cc2ccccc2)nc1C.
What is the InChIKey of N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The InChIKey is PPWPHWFRPGTSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c1-3-14-24(16-19-12-8-5-9-13-19)22(25)21-17(2)23-20(26-21)15-18-10-6-4-7-11-18/h3-13H,1,14-16H2,2H3.
What are the key properties of N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55669656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).