N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

C18H18N2O3S — CID 862712

IUPACN-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)N(Cc1ccco1)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C18H18N2O3S/c1-3-17(21)20(11-15-5-4-10-23-15)18-19-16(12-24-18)13-6-8-14(22-2)9-7-13/h4-10,12H,3,11H2,1-2H3
InChIKeyLRYVGXVFMXCYKN-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.35
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 862712) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID862712
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)N(Cc1ccco1)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C18H18N2O3S/c1-3-17(21)20(11-15-5-4-10-23-15)18-19-16(12-24-18)13-6-8-14(22-2)9-7-13/h4-10,12H,3,11H2,1-2H3
InChIKeyLRYVGXVFMXCYKN-UHFFFAOYSA-N
XLogP4.35
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 862712) is N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is CCC(=O)N(Cc1ccco1)c1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is LRYVGXVFMXCYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-17(21)20(11-15-5-4-10-23-15)18-19-16(12-24-18)13-6-8-14(22-2)9-7-13/h4-10,12H,3,11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 342.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 862712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).