1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol

C14H15NOS — CID 112642027

IUPAC1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol
SMILESOC(Cc1cncs1)c1cccc(C2CC2)c1
InChIInChI=1S/C14H15NOS/c16-14(7-13-8-15-9-17-13)12-3-1-2-11(6-12)10-4-5-10/h1-3,6,8-10,14,16H,4-5,7H2
InChIKeyDCBJZWFYVKESEY-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.30
Rot. Bonds4

About 1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol

1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol (PubChem CID 112642027) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol
PubChem CID112642027
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol
SMILESOC(Cc1cncs1)c1cccc(C2CC2)c1
InChIInChI=1S/C14H15NOS/c16-14(7-13-8-15-9-17-13)12-3-1-2-11(6-12)10-4-5-10/h1-3,6,8-10,14,16H,4-5,7H2
InChIKeyDCBJZWFYVKESEY-UHFFFAOYSA-N
XLogP3.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol
CID 79980644
1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641878
1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol
CID 79980080
2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol
CID 79980714
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839
2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol
CID 79973010
1-(3-cyclopropylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 79973012
1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
CID 112642081
1-(3-cyclopropylphenyl)heptan-1-ol
CID 79980321
1-(3-cyclopropylphenyl)undecan-1-ol
CID 79973186
1-(3-cyclopropylphenyl)decan-1-ol
CID 79980400
1-(3-cyclopropylphenyl)octan-1-ol
CID 79981026

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol (CID 112642027) is 1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol is OC(Cc1cncs1)c1cccc(C2CC2)c1.
What is the InChIKey of 1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
The InChIKey is DCBJZWFYVKESEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c16-14(7-13-8-15-9-17-13)12-3-1-2-11(6-12)10-4-5-10/h1-3,6,8-10,14,16H,4-5,7H2.
What are the key properties of 1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol has a molecular weight of 245.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 112642027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).