N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide

C14H22N2O3S — CID 97331883

IUPACN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1csc([C@@H]2CCCO2)n1
InChIInChI=1S/C14H22N2O3S/c1-9(2)6-10(7-17)15-13(18)11-8-20-14(16-11)12-4-3-5-19-12/h8-10,12,17H,3-7H2,1-2H3,(H,15,18)/t10-,12-/m0/s1
InChIKeyFGTDLWKUFFDXMK-JQWIXIFHSA-N
MW298.41 g/mol
LogP2.13
Rot. Bonds6

About N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 97331883) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID97331883
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1csc([C@@H]2CCCO2)n1
InChIInChI=1S/C14H22N2O3S/c1-9(2)6-10(7-17)15-13(18)11-8-20-14(16-11)12-4-3-5-19-12/h8-10,12,17H,3-7H2,1-2H3,(H,15,18)/t10-,12-/m0/s1
InChIKeyFGTDLWKUFFDXMK-JQWIXIFHSA-N
XLogP2.13
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide (CID 97331883) is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide is CC(C)C[C@@H](CO)NC(=O)c1csc([C@@H]2CCCO2)n1.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is FGTDLWKUFFDXMK-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9(2)6-10(7-17)15-13(18)11-8-20-14(16-11)12-4-3-5-19-12/h8-10,12,17H,3-7H2,1-2H3,(H,15,18)/t10-,12-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide?
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97331883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).