1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol

C17H21NOS — CID 115817937

IUPAC1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
SMILESOC(Cc1nc(-c2ccccc2)cs1)CC1CCCC1
InChIInChI=1S/C17H21NOS/c19-15(10-13-6-4-5-7-13)11-17-18-16(12-20-17)14-8-2-1-3-9-14/h1-3,8-9,12-13,15,19H,4-7,10-11H2
InChIKeyUBLNIYWJWVQSCQ-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.29
Rot. Bonds5

About 1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol

1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 115817937) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
PubChem CID115817937
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
SMILESOC(Cc1nc(-c2ccccc2)cs1)CC1CCCC1
InChIInChI=1S/C17H21NOS/c19-15(10-13-6-4-5-7-13)11-17-18-16(12-20-17)14-8-2-1-3-9-14/h1-3,8-9,12-13,15,19H,4-7,10-11H2
InChIKeyUBLNIYWJWVQSCQ-UHFFFAOYSA-N
XLogP4.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-3-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 103986612
1-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79819550
1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 115817879
1-(2-methylcyclopentyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 107192609
2-(4-phenyl-1,3-thiazol-2-yl)-1-piperidin-3-ylethanol
CID 80559303
1-(dimethylamino)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 79820116
2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62900718
1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 79825749
4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
CID 103027611
4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 116504657
4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103456577
N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 79825761

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol (CID 115817937) is 1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol is OC(Cc1nc(-c2ccccc2)cs1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is UBLNIYWJWVQSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c19-15(10-13-6-4-5-7-13)11-17-18-16(12-20-17)14-8-2-1-3-9-14/h1-3,8-9,12-13,15,19H,4-7,10-11H2.
What are the key properties of 1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol?
1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 287.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 115817937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).