2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol

C16H19NOS — CID 104656167

IUPAC2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H19NOS/c1-3-4-10-16(2,18)11-15-17-14(12-19-15)13-8-6-5-7-9-13/h3,5-9,12,18H,1,4,10-11H2,2H3
InChIKeyWYXZYBPMPVNTPF-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.07
Rot. Bonds6

About 2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol

2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol (PubChem CID 104656167) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol
PubChem CID104656167
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H19NOS/c1-3-4-10-16(2,18)11-15-17-14(12-19-15)13-8-6-5-7-9-13/h3,5-9,12,18H,1,4,10-11H2,2H3
InChIKeyWYXZYBPMPVNTPF-UHFFFAOYSA-N
XLogP4.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820016
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 81022146
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 79820192
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
1-tert-butylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-one
CID 79819644
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
CID 115633034
2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole
CID 66972700
2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid
CID 79817950
4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 116504657
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol?
The IUPAC name of 2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol (CID 104656167) is 2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol.
What is the SMILES notation for 2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol?
The canonical SMILES for 2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol is C=CCCC(C)(O)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol?
The InChIKey is WYXZYBPMPVNTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-3-4-10-16(2,18)11-15-17-14(12-19-15)13-8-6-5-7-9-13/h3,5-9,12,18H,1,4,10-11H2,2H3.
What are the key properties of 2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol?
2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol has a molecular weight of 273.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol is sourced from PubChem (CID 104656167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).