3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide

C17H22N2O2S — CID 110678832

IUPAC3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCc2sc(C)nc2C)c1
InChIInChI=1S/C17H22N2O2S/c1-12-16(22-13(2)19-12)7-8-17(20)18-10-9-14-5-4-6-15(11-14)21-3/h4-6,11H,7-10H2,1-3H3,(H,18,20)
InChIKeyRLQSLLUODOPCIC-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.06
Rot. Bonds7

About 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide

3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 110678832) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID110678832
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCc2sc(C)nc2C)c1
InChIInChI=1S/C17H22N2O2S/c1-12-16(22-13(2)19-12)7-8-17(20)18-10-9-14-5-4-6-15(11-14)21-3/h4-6,11H,7-10H2,1-3H3,(H,18,20)
InChIKeyRLQSLLUODOPCIC-UHFFFAOYSA-N
XLogP3.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 56906594
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110685562
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide
CID 110395095
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine
CID 111764207
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 110678797
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 121122601
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791095
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide (CID 110678832) is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide is COc1cccc(CCNC(=O)CCc2sc(C)nc2C)c1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is RLQSLLUODOPCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12-16(22-13(2)19-12)7-8-17(20)18-10-9-14-5-4-6-15(11-14)21-3/h4-6,11H,7-10H2,1-3H3,(H,18,20).
What are the key properties of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 318.44 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 110678832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).