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

C17H22N2O2S — CID 46066504

IUPACN-(2-methylpropyl)-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CNC(=O)c1csc(-c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C17H22N2O2S/c1-11(2)9-18-16(20)15-10-22-17(19-15)13-6-5-7-14(8-13)21-12(3)4/h5-8,10-12H,9H2,1-4H3,(H,18,20)
InChIKeyLBCSMSLGCMMDAN-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.98
Rot. Bonds6

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

N-(2-methylpropyl)-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46066504) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46066504
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-(2-methylpropyl)-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CNC(=O)c1csc(-c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C17H22N2O2S/c1-11(2)9-18-16(20)15-10-22-17(19-15)13-6-5-7-14(8-13)21-12(3)4/h5-8,10-12H,9H2,1-4H3,(H,18,20)
InChIKeyLBCSMSLGCMMDAN-UHFFFAOYSA-N
XLogP3.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155755083
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
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-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[3-oxo-1-(3-phenoxybenzyl)-2-piperazinyl]acetamide
CID 16190462
2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 23613053
2-[1-(2-ethoxybenzyl)-3-oxo-2-piperazinyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 24817732
2-(Methoxycarbonyl(3-((2-phenylthiazol-4-yl)methoxy)benzyl)amino)acetic acid
CID 46889021
N-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 46943546
N-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methyl]acetamide
CID 49786331
N-[(3-methoxyphenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 49789516

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (CID 46066504) is N-(2-methylpropyl)-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is CC(C)CNC(=O)c1csc(-c2cccc(OC(C)C)c2)n1.
What is the InChIKey of N-(2-methylpropyl)-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LBCSMSLGCMMDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11(2)9-18-16(20)15-10-22-17(19-15)13-6-5-7-14(8-13)21-12(3)4/h5-8,10-12H,9H2,1-4H3,(H,18,20).
What are the key properties of N-(2-methylpropyl)-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
N-(2-methylpropyl)-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).