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

C15H18N2O2S2 — CID 16850053

IUPAC3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc(CSC)cs2)cc1
InChIInChI=1S/C15H18N2O2S2/c1-19-13-6-3-11(4-7-13)5-8-14(18)17-15-16-12(9-20-2)10-21-15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,17,18)
InChIKeyRHBXYGLATBLJOZ-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.59
Rot. Bonds7

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

3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 16850053) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID16850053
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc(CSC)cs2)cc1
InChIInChI=1S/C15H18N2O2S2/c1-19-13-6-3-11(4-7-13)5-8-14(18)17-15-16-12(9-20-2)10-21-15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,17,18)
InChIKeyRHBXYGLATBLJOZ-UHFFFAOYSA-N
XLogP3.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[3-(4-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 38987123
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19226097
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 3649680
N-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27453716
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
CID 17443412
S-[7-oxo-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 3-(4-methoxyphenyl)propanethioate
CID 163270007
ethyl 2-[2-[3-(3-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 24620243
N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 17321847
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 7337495
N-[4-[3-[2-(4-methoxyphenyl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208652
ethyl 2-[2-[3-(4-chlorophenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 19220870

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide (CID 16850053) is 3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(CCC(=O)Nc2nc(CSC)cs2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is RHBXYGLATBLJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-19-13-6-3-11(4-7-13)5-8-14(18)17-15-16-12(9-20-2)10-21-15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide?
3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 322.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 16850053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).