N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide

C19H20N2O4S — CID 646386

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCCC(=O)N(Cc1ccco1)c1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C19H20N2O4S/c1-4-18(22)21(11-14-6-5-9-25-14)19-20-16(12-26-19)15-10-13(23-2)7-8-17(15)24-3/h5-10,12H,4,11H2,1-3H3
InChIKeyKXBMZNUJHVTQSV-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.36
Rot. Bonds7

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 646386) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID646386
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCCC(=O)N(Cc1ccco1)c1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C19H20N2O4S/c1-4-18(22)21(11-14-6-5-9-25-14)19-20-16(12-26-19)15-10-13(23-2)7-8-17(15)24-3/h5-10,12H,4,11H2,1-3H3
InChIKeyKXBMZNUJHVTQSV-UHFFFAOYSA-N
XLogP4.36
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide (CID 646386) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide is CCC(=O)N(Cc1ccco1)c1nc(-c2cc(OC)ccc2OC)cs1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is KXBMZNUJHVTQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-4-18(22)21(11-14-6-5-9-25-14)19-20-16(12-26-19)15-10-13(23-2)7-8-17(15)24-3/h5-10,12H,4,11H2,1-3H3.
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 372.45 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 646386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).