2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol

C9H15NOS — CID 130697684

IUPAC2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol
SMILESCCC(O)(c1cscn1)C(C)C
InChIInChI=1S/C9H15NOS/c1-4-9(11,7(2)3)8-5-12-6-10-8/h5-7,11H,4H2,1-3H3
InChIKeyFNOIFOGMASUFKV-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.40
Rot. Bonds3

About 2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol

2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol (PubChem CID 130697684) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol.

Molecular Properties

Compound Name2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol
PubChem CID130697684
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol
SMILESCCC(O)(c1cscn1)C(C)C
InChIInChI=1S/C9H15NOS/c1-4-9(11,7(2)3)8-5-12-6-10-8/h5-7,11H,4H2,1-3H3
InChIKeyFNOIFOGMASUFKV-UHFFFAOYSA-N
XLogP2.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-3-(1,3-thiazol-4-yl)pentan-3-ol
CID 131181656
2-(1,3-thiazol-4-yl)propan-2-ol
CID 91099145
4-(3-methylhexan-3-yl)-1,3-thiazole
CID 90363109
1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol
CID 166610479
4-(2-methylheptan-2-yl)-1,3-thiazole
CID 146654398
2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid
CID 84681137
2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol
CID 114495556
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62257257
2-methyl-3-[4-(trifluoromethyl)phenyl]pentan-3-ol
CID 62788141
methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate
CID 57171667
1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol
CID 130871256
(2S)-2-methyl-3-(1,3-thiazol-4-yl)propane-1,1-diol
CID 163525054

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol?
The IUPAC name of 2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol (CID 130697684) is 2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol.
What is the SMILES notation for 2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol?
The canonical SMILES for 2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol is CCC(O)(c1cscn1)C(C)C.
What is the InChIKey of 2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol?
The InChIKey is FNOIFOGMASUFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-4-9(11,7(2)3)8-5-12-6-10-8/h5-7,11H,4H2,1-3H3.
What are the key properties of 2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol?
2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol has a molecular weight of 185.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol is sourced from PubChem (CID 130697684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).