N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide

C11H18N2O2S — CID 103750834

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(CCO)C(C)C)cs1
InChIInChI=1S/C11H18N2O2S/c1-7(2)9(4-5-14)13-11(15)10-6-16-8(3)12-10/h6-7,9,14H,4-5H2,1-3H3,(H,13,15)
InChIKeySYIJDRQWAZQOCV-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.59
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide

N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 103750834) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID103750834
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(CCO)C(C)C)cs1
InChIInChI=1S/C11H18N2O2S/c1-7(2)9(4-5-14)13-11(15)10-6-16-8(3)12-10/h6-7,9,14H,4-5H2,1-3H3,(H,13,15)
InChIKeySYIJDRQWAZQOCV-UHFFFAOYSA-N
XLogP1.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81048571
N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 103920000
N-(3-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198786
N-[(2S)-1-aminopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 131019261
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 77059386
ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate
CID 94211552
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 106356098
4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199945
(2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199559
(3S)-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 97328202
5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide
CID 103782372
2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199703

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide (CID 103750834) is N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC(CCO)C(C)C)cs1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is SYIJDRQWAZQOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(2)9(4-5-14)13-11(15)10-6-16-8(3)12-10/h6-7,9,14H,4-5H2,1-3H3,(H,13,15).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 242.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103750834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).