N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C12H20N2O2S — CID 103771231

IUPACN-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(O)CC(C)C)s1
InChIInChI=1S/C12H20N2O2S/c1-7(2)5-10(15)6-13-12(16)11-8(3)14-9(4)17-11/h7,10,15H,5-6H2,1-4H3,(H,13,16)
InChIKeyOZUYZVWSCVGBCQ-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.90
Rot. Bonds5

About N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 103771231) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID103771231
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(O)CC(C)C)s1
InChIInChI=1S/C12H20N2O2S/c1-7(2)5-10(15)6-13-12(16)11-8(3)14-9(4)17-11/h7,10,15H,5-6H2,1-4H3,(H,13,16)
InChIKeyOZUYZVWSCVGBCQ-UHFFFAOYSA-N
XLogP1.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10214537, Example 146
CID 132220326
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71850127
(3-Methoxypiperidin-1-yl)-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 75369392
5-(2,4-Dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201372
N-[(3S,4S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-4-(hydroxymethyl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide
CID 91910009
N-(1-methoxypropan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53515226
(3S*,4R*)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-4-(hydroxymethyl)-3-piperidinol
CID 56882119
N-{[(3S*,4S*)-3-hydroxypiperidin-4-yl]methyl}-2-isopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 56883261
N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 70732334
4-ethyl-N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 70742047
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 75498491
N-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 86786740

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 103771231) is N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC(O)CC(C)C)s1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is OZUYZVWSCVGBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-7(2)5-10(15)6-13-12(16)11-8(3)14-9(4)17-11/h7,10,15H,5-6H2,1-4H3,(H,13,16).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103771231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).