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

C11H17NOS — CID 104656324

IUPAC2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1nc(C)cs1
InChIInChI=1S/C11H17NOS/c1-4-5-6-11(3,13)7-10-12-9(2)8-14-10/h4,8,13H,1,5-7H2,2-3H3
InChIKeyIKVWAHACJSXVEF-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.71
Rot. Bonds5

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

2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol (PubChem CID 104656324) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol
PubChem CID104656324
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1nc(C)cs1
InChIInChI=1S/C11H17NOS/c1-4-5-6-11(3,13)7-10-12-9(2)8-14-10/h4,8,13H,1,5-7H2,2-3H3
InChIKeyIKVWAHACJSXVEF-UHFFFAOYSA-N
XLogP2.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.71
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-[2-(chloromethyl)-2-methylbut-3-enyl]-4-methyl-1,3-thiazole
CID 102641983
ethyl 2-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-enoate
CID 102639208
4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 167073977
2-methyl-1-phenylhex-5-en-2-ol
CID 104656177
2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol
CID 106506478
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103457297
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylhex-5-en-2-ol
CID 104656253
3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 103447216
3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 1497792
2-ethyl-4-methyl-1,3-thiazole
CID 27440
N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine
CID 106404911

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol?
The IUPAC name of 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol (CID 104656324) is 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol.
What is the SMILES notation for 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol?
The canonical SMILES for 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol is C=CCCC(C)(O)Cc1nc(C)cs1.
What is the InChIKey of 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol?
The InChIKey is IKVWAHACJSXVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-4-5-6-11(3,13)7-10-12-9(2)8-14-10/h4,8,13H,1,5-7H2,2-3H3.
What are the key properties of 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol?
2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol has a molecular weight of 211.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol is sourced from PubChem (CID 104656324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).