[3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol

C14H17NOS — CID 116542846

IUPAC[3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol
SMILESCC(C)Cc1cccc(C(O)c2cncs2)c1
InChIInChI=1S/C14H17NOS/c1-10(2)6-11-4-3-5-12(7-11)14(16)13-8-15-9-17-13/h3-5,7-10,14,16H,6H2,1-2H3
InChIKeyFQHUPAQDUKEXJN-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.42
Rot. Bonds4

About [3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol

[3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol (PubChem CID 116542846) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is [3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name[3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol
PubChem CID116542846
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name[3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol
SMILESCC(C)Cc1cccc(C(O)c2cncs2)c1
InChIInChI=1S/C14H17NOS/c1-10(2)6-11-4-3-5-12(7-11)14(16)13-8-15-9-17-13/h3-5,7-10,14,16H,6H2,1-2H3
InChIKeyFQHUPAQDUKEXJN-UHFFFAOYSA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol
CID 116543760
(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838197
[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol
CID 116542777
(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116543738
(4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 105131171
(1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542679
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838225
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374
3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 113261620
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
(4-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542362
1-(3-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115713565

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol?
The IUPAC name of [3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol (CID 116542846) is [3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol.
What is the SMILES notation for [3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol?
The canonical SMILES for [3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol is CC(C)Cc1cccc(C(O)c2cncs2)c1.
What is the InChIKey of [3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol?
The InChIKey is FQHUPAQDUKEXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10(2)6-11-4-3-5-12(7-11)14(16)13-8-15-9-17-13/h3-5,7-10,14,16H,6H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol?
[3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol has a molecular weight of 247.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 116542846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).