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

C18H18N2O3S — CID 7202379

IUPACN-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCOc1ccc(-c2nc(C)c(CCNC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C18H18N2O3S/c1-12-16(9-10-19-17(21)15-4-3-11-23-15)24-18(20-12)13-5-7-14(22-2)8-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyXKYJCMHTFYJRSD-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.69
Rot. Bonds6

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

N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide (PubChem CID 7202379) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide
PubChem CID7202379
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCOc1ccc(-c2nc(C)c(CCNC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C18H18N2O3S/c1-12-16(9-10-19-17(21)15-4-3-11-23-15)24-18(20-12)13-5-7-14(22-2)8-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyXKYJCMHTFYJRSD-UHFFFAOYSA-N
XLogP3.69
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide (CID 7202379) is N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide is COc1ccc(-c2nc(C)c(CCNC(=O)c3ccco3)s2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide?
The InChIKey is XKYJCMHTFYJRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-16(9-10-19-17(21)15-4-3-11-23-15)24-18(20-12)13-5-7-14(22-2)8-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide?
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 7202379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).