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

C12H14N2O2S — CID 47015184

IUPACN-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCc2ccco2)s1
InChIInChI=1S/C12H14N2O2S/c1-8-11(17-9(2)14-8)12(15)13-6-5-10-4-3-7-16-10/h3-4,7H,5-6H2,1-2H3,(H,13,15)
InChIKeyMXWLUBGNPQXMTG-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.33
Rot. Bonds4

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

N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 47015184) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID47015184
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCc2ccco2)s1
InChIInChI=1S/C12H14N2O2S/c1-8-11(17-9(2)14-8)12(15)13-6-5-10-4-3-7-16-10/h3-4,7H,5-6H2,1-2H3,(H,13,15)
InChIKeyMXWLUBGNPQXMTG-UHFFFAOYSA-N
XLogP2.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56711673
4-amino-N-[2-(furan-2-yl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663748
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
CID 61471529
2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 82119492
4-amino-N-[2-(furan-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140224
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 94180275
N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide
CID 45491510
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 43240530
5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353927
3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate
CID 110675610

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 47015184) is N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCc2ccco2)s1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is MXWLUBGNPQXMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-8-11(17-9(2)14-8)12(15)13-6-5-10-4-3-7-16-10/h3-4,7H,5-6H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47015184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).