N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide

C14H16N2O2S — CID 47022125

IUPACN-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C14H16N2O2S/c1-4-16(8-10(2)3)14(17)11-9-19-13(15-11)12-6-5-7-18-12/h5-7,9H,2,4,8H2,1,3H3
InChIKeyNNCJYIPAZXTXLH-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.44
Rot. Bonds5

About N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide

N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide (PubChem CID 47022125) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
PubChem CID47022125
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C14H16N2O2S/c1-4-16(8-10(2)3)14(17)11-9-19-13(15-11)12-6-5-7-18-12/h5-7,9H,2,4,8H2,1,3H3
InChIKeyNNCJYIPAZXTXLH-UHFFFAOYSA-N
XLogP3.44
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 61021145
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 46546819
2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 134058954
N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 137296733
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
N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 47438726
2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206330
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 31836479
2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 107202197
N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 36702476
N-ethoxy-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36767453

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide (CID 47022125) is N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide is C=C(C)CN(CC)C(=O)c1csc(-c2ccco2)n1.
What is the InChIKey of N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NNCJYIPAZXTXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-4-16(8-10(2)3)14(17)11-9-19-13(15-11)12-6-5-7-18-12/h5-7,9H,2,4,8H2,1,3H3.
What are the key properties of N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide?
N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47022125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).