1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol

C10H16ClNOS — CID 107124871

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol
SMILESCC(C)CCCC(O)c1ncc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-7(2)4-3-5-8(13)10-12-6-9(11)14-10/h6-8,13H,3-5H2,1-2H3
InChIKeyRELNCVAYVSDQSP-UHFFFAOYSA-N
MW233.76 g/mol
LogP3.66
Rot. Bonds5

About 1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol

1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol (PubChem CID 107124871) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol
PubChem CID107124871
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol
SMILESCC(C)CCCC(O)c1ncc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-7(2)4-3-5-8(13)10-12-6-9(11)14-10/h6-8,13H,3-5H2,1-2H3
InChIKeyRELNCVAYVSDQSP-UHFFFAOYSA-N
XLogP3.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol
CID 107124810
2-amino-1-(5-chloro-1,3-thiazol-2-yl)propan-1-ol
CID 107124475
2-(2-chloro-4-methylphenyl)-1-(5-chloro-1,3-thiazol-2-yl)ethanol
CID 107124945
1-(5-chloro-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-1-ol
CID 107124879
ethyl 3-(5-chloro-1,3-thiazol-2-yl)-3-hydroxypropanoate
CID 107125457
1-(5-chloro-1,3-thiazol-2-yl)-2-pyridin-3-ylethanol
CID 107124874
1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol
CID 107124825
1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine
CID 66220871
(5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol
CID 107124967
2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol
CID 107125864
4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol
CID 126995503
2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine
CID 107125783

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol (CID 107124871) is 1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol is CC(C)CCCC(O)c1ncc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol?
The InChIKey is RELNCVAYVSDQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-7(2)4-3-5-8(13)10-12-6-9(11)14-10/h6-8,13H,3-5H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol?
1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol has a molecular weight of 233.76 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol is sourced from PubChem (CID 107124871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).