N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide

C15H24N2O3S — CID 109481376

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1csc(C2CCCO2)n1
InChIInChI=1S/C15H24N2O3S/c1-3-15(4-2,10-18)9-16-13(19)11-8-21-14(17-11)12-6-5-7-20-12/h8,12,18H,3-7,9-10H2,1-2H3,(H,16,19)
InChIKeyALFHVURRIZOVJZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.52
Rot. Bonds7

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 109481376) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID109481376
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1csc(C2CCCO2)n1
InChIInChI=1S/C15H24N2O3S/c1-3-15(4-2,10-18)9-16-13(19)11-8-21-14(17-11)12-6-5-7-20-12/h8,12,18H,3-7,9-10H2,1-2H3,(H,16,19)
InChIKeyALFHVURRIZOVJZ-UHFFFAOYSA-N
XLogP2.52
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 120513455
N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 109476494
(2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120526981
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 97331883
1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 120530552
N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 99718542
N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 109477905
2-[4-[[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698833
4-methyl-3-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 120522343
cis-(1R,3S)-3-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678709
N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 84590927
[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methanone
CID 124589824

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide (CID 109481376) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide is CCC(CC)(CO)CNC(=O)c1csc(C2CCCO2)n1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ALFHVURRIZOVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-15(4-2,10-18)9-16-13(19)11-8-21-14(17-11)12-6-5-7-20-12/h8,12,18H,3-7,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 109481376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).