2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide

C13H16N2O3S — CID 111543370

IUPAC2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1csc(-c2ccoc2)n1
InChIInChI=1S/C13H16N2O3S/c1-13(2,17)8-15(3)12(16)10-7-19-11(14-10)9-4-5-18-6-9/h4-7,17H,8H2,1-3H3
InChIKeyKRVTVHGLPSOJAU-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.25
Rot. Bonds4

About 2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide

2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 111543370) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID111543370
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1csc(-c2ccoc2)n1
InChIInChI=1S/C13H16N2O3S/c1-13(2,17)8-15(3)12(16)10-7-19-11(14-10)9-4-5-18-6-9/h4-7,17H,8H2,1-3H3
InChIKeyKRVTVHGLPSOJAU-UHFFFAOYSA-N
XLogP2.25
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119200876
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111543015
2-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111543202
2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206590
2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 79378500
4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole
CID 166559603
2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 79290954
2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253767
(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-2,3-dimethylbutanoic acid
CID 97337419
2-methylsulfanylethyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate
CID 71987403
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484065
5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 79291054

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 111543370) is 2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide is CN(CC(C)(C)O)C(=O)c1csc(-c2ccoc2)n1.
What is the InChIKey of 2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is KRVTVHGLPSOJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-13(2,17)8-15(3)12(16)10-7-19-11(14-10)9-4-5-18-6-9/h4-7,17H,8H2,1-3H3.
What are the key properties of 2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111543370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).