1-(1,3-thiazol-2-yl)hexan-2-ol

C9H15NOS — CID 79824098

IUPAC1-(1,3-thiazol-2-yl)hexan-2-ol
SMILESCCCCC(O)Cc1nccs1
InChIInChI=1S/C9H15NOS/c1-2-3-4-8(11)7-9-10-5-6-12-9/h5-6,8,11H,2-4,7H2,1H3
InChIKeyHJVCMSYYBLDXJB-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.24
Rot. Bonds5

About 1-(1,3-thiazol-2-yl)hexan-2-ol

1-(1,3-thiazol-2-yl)hexan-2-ol (PubChem CID 79824098) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)hexan-2-ol.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)hexan-2-ol
PubChem CID79824098
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name1-(1,3-thiazol-2-yl)hexan-2-ol
SMILESCCCCC(O)Cc1nccs1
InChIInChI=1S/C9H15NOS/c1-2-3-4-8(11)7-9-10-5-6-12-9/h5-6,8,11H,2-4,7H2,1H3
InChIKeyHJVCMSYYBLDXJB-UHFFFAOYSA-N
XLogP2.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79823797
1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825227
1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79819993
N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015264
3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol
CID 116711385
1-(1,3-thiazol-2-yl)undecan-2-ylhydrazine
CID 105324540
1-(3,5-dimethylphenyl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79824564
N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine
CID 105015117
N-propyl-1-(1,3-thiazol-2-yl)decan-2-amine
CID 105014908
1-(1,3-thiazol-2-yl)octan-1-ol
CID 10943825
5-(1,3-thiazol-2-yl)pentan-2-ol
CID 79824086
5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 105115330

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)hexan-2-ol?
The IUPAC name of 1-(1,3-thiazol-2-yl)hexan-2-ol (CID 79824098) is 1-(1,3-thiazol-2-yl)hexan-2-ol.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)hexan-2-ol?
The canonical SMILES for 1-(1,3-thiazol-2-yl)hexan-2-ol is CCCCC(O)Cc1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)hexan-2-ol?
The InChIKey is HJVCMSYYBLDXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-2-3-4-8(11)7-9-10-5-6-12-9/h5-6,8,11H,2-4,7H2,1H3.
What are the key properties of 1-(1,3-thiazol-2-yl)hexan-2-ol?
1-(1,3-thiazol-2-yl)hexan-2-ol has a molecular weight of 185.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)hexan-2-ol is sourced from PubChem (CID 79824098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).