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

C18H22N2O3S — CID 46571971

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCOc1ccc(C(NC(=O)CCn2c(C)csc2=O)C2CC2)cc1
InChIInChI=1S/C18H22N2O3S/c1-12-11-24-18(22)20(12)10-9-16(21)19-17(13-3-4-13)14-5-7-15(23-2)8-6-14/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,19,21)
InChIKeyHPXAGGCNWMCWDN-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.88
Rot. Bonds7

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

N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 46571971) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID46571971
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCOc1ccc(C(NC(=O)CCn2c(C)csc2=O)C2CC2)cc1
InChIInChI=1S/C18H22N2O3S/c1-12-11-24-18(22)20(12)10-9-16(21)19-17(13-3-4-13)14-5-7-15(23-2)8-6-14/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,19,21)
InChIKeyHPXAGGCNWMCWDN-UHFFFAOYSA-N
XLogP2.88
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 42925489
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 46539903
N-(1-hydroxypropan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 110887361
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 51927573
N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 51983397
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 65229389
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 40843663
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 55523800
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 134038165

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 46571971) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is COc1ccc(C(NC(=O)CCn2c(C)csc2=O)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is HPXAGGCNWMCWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-11-24-18(22)20(12)10-9-16(21)19-17(13-3-4-13)14-5-7-15(23-2)8-6-14/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 46571971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).