N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C14H16N2O2S — CID 110886106

IUPACN-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N(C)CCO)cs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-10-3-5-11(6-4-10)13-15-12(9-19-13)14(18)16(2)7-8-17/h3-6,9,17H,7-8H2,1-2H3
InChIKeyICWYBFPRFUFDQY-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.18
Rot. Bonds4

About N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 110886106) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID110886106
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N(C)CCO)cs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-10-3-5-11(6-4-10)13-15-12(9-19-13)14(18)16(2)7-8-17/h3-6,9,17H,7-8H2,1-2H3
InChIKeyICWYBFPRFUFDQY-UHFFFAOYSA-N
XLogP2.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
[(1R)-1-[[(2S,3R)-3-hydroxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]butanoyl]amino]-3-methylbutyl]boronic acid
CID 11560779
N-allyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 2768692
[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone
CID 2968134
(9-Benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 52945272
[2-(2,3-Dimethylphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 137642149
N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 5215878
N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 1486910
N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 3792843
(9-Benzyl-2,9-diazaspiro[5.5]undecan-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 52949760
2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 47443232
2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95214051

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 110886106) is N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)N(C)CCO)cs2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ICWYBFPRFUFDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-3-5-11(6-4-10)13-15-12(9-19-13)14(18)16(2)7-8-17/h3-6,9,17H,7-8H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110886106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).