N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide

C18H18N2O2S2 — CID 78842505

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCc1nc(CCNC(=O)c2occc2CSc2ccccc2)cs1
InChIInChI=1S/C18H18N2O2S2/c1-13-20-15(12-23-13)7-9-19-18(21)17-14(8-10-22-17)11-24-16-5-3-2-4-6-16/h2-6,8,10,12H,7,9,11H2,1H3,(H,19,21)
InChIKeyLHVOTRLPRIRUEL-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.31
Rot. Bonds7

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 78842505) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID78842505
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCc1nc(CCNC(=O)c2occc2CSc2ccccc2)cs1
InChIInChI=1S/C18H18N2O2S2/c1-13-20-15(12-23-13)7-9-19-18(21)17-14(8-10-22-17)11-24-16-5-3-2-4-6-16/h2-6,8,10,12H,7,9,11H2,1H3,(H,19,21)
InChIKeyLHVOTRLPRIRUEL-UHFFFAOYSA-N
XLogP4.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 111433757
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 36749641
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 103932658
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790264
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
N-[2-(1H-indol-3-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 31065605
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2-phenoxyethyl)benzamide
CID 134024182
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
2-(3-hydroxyprop-1-ynyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106041902
N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78853234
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78861956
N-(2-methoxyethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 24624877

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide (CID 78842505) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide is Cc1nc(CCNC(=O)c2occc2CSc2ccccc2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is LHVOTRLPRIRUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-13-20-15(12-23-13)7-9-19-18(21)17-14(8-10-22-17)11-24-16-5-3-2-4-6-16/h2-6,8,10,12H,7,9,11H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 78842505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).