N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide

C13H20N2O3S — CID 109477905

IUPACN-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(O)CCN(C)C(=O)c1csc(C2CCCO2)n1
InChIInChI=1S/C13H20N2O3S/c1-9(16)5-6-15(2)13(17)10-8-19-12(14-10)11-4-3-7-18-11/h8-9,11,16H,3-7H2,1-2H3
InChIKeyZUHDJFSEMOUXQD-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.84
Rot. Bonds5

About N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide

N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 109477905) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID109477905
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(O)CCN(C)C(=O)c1csc(C2CCCO2)n1
InChIInChI=1S/C13H20N2O3S/c1-9(16)5-6-15(2)13(17)10-8-19-12(14-10)11-4-3-7-18-11/h8-9,11,16H,3-7H2,1-2H3
InChIKeyZUHDJFSEMOUXQD-UHFFFAOYSA-N
XLogP1.84
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide (CID 109477905) is N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide is CC(O)CCN(C)C(=O)c1csc(C2CCCO2)n1.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZUHDJFSEMOUXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(16)5-6-15(2)13(17)10-8-19-12(14-10)11-4-3-7-18-11/h8-9,11,16H,3-7H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 109477905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).