N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide

C12H14N2O2S — CID 63049969

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(C)NC(=O)c2cscn2)c(C)o1
InChIInChI=1S/C12H14N2O2S/c1-7-4-10(9(3)16-7)8(2)14-12(15)11-5-17-6-13-11/h4-6,8H,1-3H3,(H,14,15)
InChIKeyXXSQCLYXUQIDPO-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.84
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 63049969) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID63049969
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(C)NC(=O)c2cscn2)c(C)o1
InChIInChI=1S/C12H14N2O2S/c1-7-4-10(9(3)16-7)8(2)14-12(15)11-5-17-6-13-11/h4-6,8H,1-3H3,(H,14,15)
InChIKeyXXSQCLYXUQIDPO-UHFFFAOYSA-N
XLogP2.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63049931
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047661
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104640844
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-hydroxypyridine-3-carboxamide
CID 55257306
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62175393
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide
CID 47442995
N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037034
N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
CID 130767344

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 63049969) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1cc(C(C)NC(=O)c2cscn2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XXSQCLYXUQIDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-7-4-10(9(3)16-7)8(2)14-12(15)11-5-17-6-13-11/h4-6,8H,1-3H3,(H,14,15).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63049969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).