1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone

C22H21NOS — CID 58554324

IUPAC1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(c1ccccc1)c1cnc(CC(=O)C2(c3ccccc3)CC2)s1
InChIInChI=1S/C22H21NOS/c1-16(17-8-4-2-5-9-17)19-15-23-21(25-19)14-20(24)22(12-13-22)18-10-6-3-7-11-18/h2-11,15-16H,12-14H2,1H3
InChIKeySANWNTQLUSPMRB-UHFFFAOYSA-N
MW347.48 g/mol
LogP5.14
Rot. Bonds6

About 1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone

1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 58554324) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone
PubChem CID58554324
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC Name1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(c1ccccc1)c1cnc(CC(=O)C2(c3ccccc3)CC2)s1
InChIInChI=1S/C22H21NOS/c1-16(17-8-4-2-5-9-17)19-15-23-21(25-19)14-20(24)22(12-13-22)18-10-6-3-7-11-18/h2-11,15-16H,12-14H2,1H3
InChIKeySANWNTQLUSPMRB-UHFFFAOYSA-N
XLogP5.14
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 59765206
(S)-N-[(R)-[2-[2-[1-(3,4-dimethylphenyl)cyclopropyl]-2-oxoethyl]-1,3-thiazol-5-yl]-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 58048485
1-[1-(3,4-dimethylphenyl)cyclopropyl]-2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]-phenylmethyl]-1,3-thiazol-2-yl]ethanone
CID 58048500
2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]ethanone
CID 58048549
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(S)-(2-chlorophenyl)-hydroxymethyl]-1,3-thiazol-2-yl]ethanone
CID 58554491
(2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate
CID 57042623
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)-[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]ethanone
CID 58554382
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(1-morpholin-4-ylpropyl)-1,3-thiazol-2-yl]ethanone
CID 58554320
2-(2-chlorophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 62881925
2-[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]acetamide
CID 130942367
2-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanone
CID 58554305
2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 65479105

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone (CID 58554324) is 1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone is CC(c1ccccc1)c1cnc(CC(=O)C2(c3ccccc3)CC2)s1.
What is the InChIKey of 1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is SANWNTQLUSPMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOS/c1-16(17-8-4-2-5-9-17)19-15-23-21(25-19)14-20(24)22(12-13-22)18-10-6-3-7-11-18/h2-11,15-16H,12-14H2,1H3.
What are the key properties of 1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone?
1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 347.48 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 58554324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).