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

C17H20N2O2S — CID 110727983

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCc1csc(C2CC2)n1
InChIInChI=1S/C17H20N2O2S/c1-21-15-5-3-2-4-12(15)8-9-16(20)18-10-14-11-22-17(19-14)13-6-7-13/h2-5,11,13H,6-10H2,1H3,(H,18,20)
InChIKeyGEKPUZXDOFPTME-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.28
Rot. Bonds7

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

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide (PubChem CID 110727983) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide
PubChem CID110727983
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCc1csc(C2CC2)n1
InChIInChI=1S/C17H20N2O2S/c1-21-15-5-3-2-4-12(15)8-9-16(20)18-10-14-11-22-17(19-14)13-6-7-13/h2-5,11,13H,6-10H2,1H3,(H,18,20)
InChIKeyGEKPUZXDOFPTME-UHFFFAOYSA-N
XLogP3.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-thiophen-2-ylpropanamide
CID 95324633
N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329998
3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide
CID 110397933
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 91938268
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95324636
methyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate
CID 112533467
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454557
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 95324736
2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110727994
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 18105005

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide (CID 110727983) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)NCc1csc(C2CC2)n1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is GEKPUZXDOFPTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-21-15-5-3-2-4-12(15)8-9-16(20)18-10-14-11-22-17(19-14)13-6-7-13/h2-5,11,13H,6-10H2,1H3,(H,18,20).
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 316.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 110727983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).