N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C17H23N3O2S — CID 118769180

IUPACN-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCCc1csc(CCNC(=O)c2ccc(CN3CCCC3)o2)n1
InChIInChI=1S/C17H23N3O2S/c1-2-13-12-23-16(19-13)7-8-18-17(21)15-6-5-14(22-15)11-20-9-3-4-10-20/h5-6,12H,2-4,7-11H2,1H3,(H,18,21)
InChIKeyGVWKIQOJZKHAQF-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.87
Rot. Bonds7

About N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 118769180) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID118769180
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCCc1csc(CCNC(=O)c2ccc(CN3CCCC3)o2)n1
InChIInChI=1S/C17H23N3O2S/c1-2-13-12-23-16(19-13)7-8-18-17(21)15-6-5-14(22-15)11-20-9-3-4-10-20/h5-6,12H,2-4,7-11H2,1H3,(H,18,21)
InChIKeyGVWKIQOJZKHAQF-UHFFFAOYSA-N
XLogP2.87
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 74244576
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416080
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414041
5-bromo-N-[2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 56580342
N-[(1-ethylpyrazol-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414076
4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride
CID 19415966
5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
CID 131896298
N-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 74230966
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414210
5-[(4-methylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42850852

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 118769180) is N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is CCc1csc(CCNC(=O)c2ccc(CN3CCCC3)o2)n1.
What is the InChIKey of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is GVWKIQOJZKHAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-2-13-12-23-16(19-13)7-8-18-17(21)15-6-5-14(22-15)11-20-9-3-4-10-20/h5-6,12H,2-4,7-11H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 118769180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).