2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide

C14H18N2O3S — CID 115735226

IUPAC2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCCC(CCO)NC(=O)c1nc(-c2ccco2)sc1C
InChIInChI=1S/C14H18N2O3S/c1-3-10(6-7-17)15-13(18)12-9(2)20-14(16-12)11-5-4-8-19-11/h4-5,8,10,17H,3,6-7H2,1-2H3,(H,15,18)
InChIKeyIOKILUWPWUSUTN-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.60
Rot. Bonds6

About 2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 115735226) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID115735226
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCCC(CCO)NC(=O)c1nc(-c2ccco2)sc1C
InChIInChI=1S/C14H18N2O3S/c1-3-10(6-7-17)15-13(18)12-9(2)20-14(16-12)11-5-4-8-19-11/h4-5,8,10,17H,3,6-7H2,1-2H3,(H,15,18)
InChIKeyIOKILUWPWUSUTN-UHFFFAOYSA-N
XLogP2.60
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide (CID 115735226) is 2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide is CCC(CCO)NC(=O)c1nc(-c2ccco2)sc1C.
What is the InChIKey of 2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is IOKILUWPWUSUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-10(6-7-17)15-13(18)12-9(2)20-14(16-12)11-5-4-8-19-11/h4-5,8,10,17H,3,6-7H2,1-2H3,(H,15,18).
What are the key properties of 2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 115735226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).