1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

C21H20N2OS — CID 59765206

IUPAC1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SMILESCC(c1ccccc1)c1cnc(NC(=O)C2(c3ccccc3)CC2)s1
InChIInChI=1S/C21H20N2OS/c1-15(16-8-4-2-5-9-16)18-14-22-20(25-18)23-19(24)21(12-13-21)17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3,(H,22,23,24)
InChIKeyGNQKMFFBMMWDES-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.97
Rot. Bonds5

About 1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 59765206) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID59765206
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SMILESCC(c1ccccc1)c1cnc(NC(=O)C2(c3ccccc3)CC2)s1
InChIInChI=1S/C21H20N2OS/c1-15(16-8-4-2-5-9-16)18-14-22-20(25-18)23-19(24)21(12-13-21)17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3,(H,22,23,24)
InChIKeyGNQKMFFBMMWDES-UHFFFAOYSA-N
XLogP4.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 59765235
1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone
CID 58554324
N-[5-[(R)-dimethylamino(phenyl)methyl]-1,3-thiazol-2-yl]-1-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 59757109
1-(1,3-benzodioxol-5-yl)-N-[5-[dimethylamino(phenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 58609952
N-[5-[(R)-[[(S)-tert-butylsulfinyl]amino]-phenylmethyl]-1,3-thiazol-2-yl]-1-(3,4-dimethylphenyl)cyclopropane-1-carboxamide;ethane
CID 90818316
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 29456239
propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate
CID 110439718
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32620190
1-(1,3-benzodioxol-5-yl)-N-[5-[1-(2-methylphenyl)ethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;ethene;N-methylethanamine
CID 143412380
1-(1,3-benzodioxol-5-yl)-N-[5-[phenyl(piperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 58554370
1-(4-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33284025
1-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100782315

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (CID 59765206) is 1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is CC(c1ccccc1)c1cnc(NC(=O)C2(c3ccccc3)CC2)s1.
What is the InChIKey of 1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is GNQKMFFBMMWDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-15(16-8-4-2-5-9-16)18-14-22-20(25-18)23-19(24)21(12-13-21)17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3,(H,22,23,24).
What are the key properties of 1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59765206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).