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

C10H16N2O2S — CID 115703844

IUPACN-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCC(O)CCNC(=O)c1csc(C)n1
InChIInChI=1S/C10H16N2O2S/c1-3-8(13)4-5-11-10(14)9-6-15-7(2)12-9/h6,8,13H,3-5H2,1-2H3,(H,11,14)
InChIKeyAEBJVEAQAKXULY-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.34
Rot. Bonds5

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

N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 115703844) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID115703844
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCC(O)CCNC(=O)c1csc(C)n1
InChIInChI=1S/C10H16N2O2S/c1-3-8(13)4-5-11-10(14)9-6-15-7(2)12-9/h6,8,13H,3-5H2,1-2H3,(H,11,14)
InChIKeyAEBJVEAQAKXULY-UHFFFAOYSA-N
XLogP1.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 65199664
4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid
CID 65199713
6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 103917004
N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 110647682
N-(4-bromo-2-ethylbutyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 114317795
5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199563
N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107322343
N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81048571
7-[(2-methyl-1,3-thiazole-4-carbonyl)amino]heptanoic acid
CID 65199802
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

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 115703844) is N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide is CCC(O)CCNC(=O)c1csc(C)n1.
What is the InChIKey of N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is AEBJVEAQAKXULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-8(13)4-5-11-10(14)9-6-15-7(2)12-9/h6,8,13H,3-5H2,1-2H3,(H,11,14).
What are the key properties of N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 115703844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).