N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide

C14H16N2O2S2 — CID 3882075

IUPACN-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCOc1ccccc1NC(=O)CCSc1nc(C)cs1
InChIInChI=1S/C14H16N2O2S2/c1-10-9-20-14(15-10)19-8-7-13(17)16-11-5-3-4-6-12(11)18-2/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyXUYPBPVXFIWXIT-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.58
Rot. Bonds6

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

N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 3882075) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID3882075
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCOc1ccccc1NC(=O)CCSc1nc(C)cs1
InChIInChI=1S/C14H16N2O2S2/c1-10-9-20-14(15-10)19-8-7-13(17)16-11-5-3-4-6-12(11)18-2/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyXUYPBPVXFIWXIT-UHFFFAOYSA-N
XLogP3.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 3882075) is N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is COc1ccccc1NC(=O)CCSc1nc(C)cs1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The InChIKey is XUYPBPVXFIWXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-10-9-20-14(15-10)19-8-7-13(17)16-11-5-3-4-6-12(11)18-2/h3-6,9H,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 308.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 3882075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).