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

C20H20N2O2S — CID 46066507

IUPACN-benzyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1cccc(-c2nc(C(=O)NCc3ccccc3)cs2)c1
InChIInChI=1S/C20H20N2O2S/c1-14(2)24-17-10-6-9-16(11-17)20-22-18(13-25-20)19(23)21-12-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3,(H,21,23)
InChIKeyFMTGDWQEOWKKLQ-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.53
Rot. Bonds6

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

N-benzyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46066507) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-benzyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46066507
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-benzyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1cccc(-c2nc(C(=O)NCc3ccccc3)cs2)c1
InChIInChI=1S/C20H20N2O2S/c1-14(2)24-17-10-6-9-16(11-17)20-22-18(13-25-20)19(23)21-12-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3,(H,21,23)
InChIKeyFMTGDWQEOWKKLQ-UHFFFAOYSA-N
XLogP4.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24779778
2-(3,4-dimethoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 70683920
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 70688170
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 70688174
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155755083
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472598
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
2-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472629
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](piperidino)methanone
CID 1472641
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2121321
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (CID 46066507) is N-benzyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is CC(C)Oc1cccc(-c2nc(C(=O)NCc3ccccc3)cs2)c1.
What is the InChIKey of N-benzyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FMTGDWQEOWKKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14(2)24-17-10-6-9-16(11-17)20-22-18(13-25-20)19(23)21-12-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3,(H,21,23).
What are the key properties of N-benzyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
N-benzyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).