N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide

C13H16N2O3S — CID 111433798

IUPACN-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide
SMILESCc1nc(-c2cc(C(=O)NCCC(C)O)co2)cs1
InChIInChI=1S/C13H16N2O3S/c1-8(16)3-4-14-13(17)10-5-12(18-6-10)11-7-19-9(2)15-11/h5-8,16H,3-4H2,1-2H3,(H,14,17)
InChIKeyRJXMHMBDXPWIMI-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.21
Rot. Bonds5

About N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide

N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide (PubChem CID 111433798) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide
PubChem CID111433798
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide
SMILESCc1nc(-c2cc(C(=O)NCCC(C)O)co2)cs1
InChIInChI=1S/C13H16N2O3S/c1-8(16)3-4-14-13(17)10-5-12(18-6-10)11-7-19-9(2)15-11/h5-8,16H,3-4H2,1-2H3,(H,14,17)
InChIKeyRJXMHMBDXPWIMI-UHFFFAOYSA-N
XLogP2.21
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide
CID 111441348
N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 119498471
(2S)-3-[cyclopropyl-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]amino]-2-methylpropanoic acid
CID 99851791
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide
CID 86957867
N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide
CID 64911371
N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 78995528
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 115703844
N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383767
3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide
CID 104852776
3,5-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 27294304
5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356111
N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide
CID 111470191

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide (CID 111433798) is N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide is Cc1nc(-c2cc(C(=O)NCCC(C)O)co2)cs1.
What is the InChIKey of N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide?
The InChIKey is RJXMHMBDXPWIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-8(16)3-4-14-13(17)10-5-12(18-6-10)11-7-19-9(2)15-11/h5-8,16H,3-4H2,1-2H3,(H,14,17).
What are the key properties of N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide?
N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide is sourced from PubChem (CID 111433798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).