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

C14H18N2O3S — CID 107202197

IUPAC2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CCCCCO)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C14H18N2O3S/c1-16(7-3-2-4-8-17)14(18)11-10-20-13(15-11)12-6-5-9-19-12/h5-6,9-10,17H,2-4,7-8H2,1H3
InChIKeyYKKXTLLUKYZNTF-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.64
Rot. Bonds7

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

2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 107202197) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID107202197
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CCCCCO)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C14H18N2O3S/c1-16(7-3-2-4-8-17)14(18)11-10-20-13(15-11)12-6-5-9-19-12/h5-6,9-10,17H,2-4,7-8H2,1H3
InChIKeyYKKXTLLUKYZNTF-UHFFFAOYSA-N
XLogP2.64
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 134058954
2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 36751815
N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 36702476
N-cyclobutyl-2-(furan-2-yl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 102684223
2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 61021145
N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 47022125
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264
methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate
CID 60766057
2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 134020416
N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 47438726
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 31836479
N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 110886106

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 107202197) is 2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide is CN(CCCCCO)C(=O)c1csc(-c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is YKKXTLLUKYZNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-16(7-3-2-4-8-17)14(18)11-10-20-13(15-11)12-6-5-9-19-12/h5-6,9-10,17H,2-4,7-8H2,1H3.
What are the key properties of 2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 107202197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).