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

C8H12ClNOS — CID 107124799

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1ncc(Cl)s1
InChIInChI=1S/C8H12ClNOS/c1-5(2)3-6(11)8-10-4-7(9)12-8/h4-6,11H,3H2,1-2H3
InChIKeyNWTXQHHQERUBBE-UHFFFAOYSA-N
MW205.71 g/mol
LogP2.88
Rot. Bonds3

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

1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol (PubChem CID 107124799) has the molecular formula C8H12ClNOS and a molecular weight of 205.71 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol
PubChem CID107124799
Molecular FormulaC8H12ClNOS
Molecular Weight205.71 g/mol
Exact Mass205.03
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1ncc(Cl)s1
InChIInChI=1S/C8H12ClNOS/c1-5(2)3-6(11)8-10-4-7(9)12-8/h4-6,11H,3H2,1-2H3
InChIKeyNWTXQHHQERUBBE-UHFFFAOYSA-N
XLogP2.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol (CID 107124799) is 1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol is CC(C)CC(O)c1ncc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol?
The InChIKey is NWTXQHHQERUBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNOS/c1-5(2)3-6(11)8-10-4-7(9)12-8/h4-6,11H,3H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol?
1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol has a molecular weight of 205.71 g/mol, XLogP of 2.88, 3 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)-3-methylbutan-1-ol is sourced from PubChem (CID 107124799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).