1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol

C9H14ClNOS — CID 107124807

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol
SMILESCC(C)CCC(O)c1ncc(Cl)s1
InChIInChI=1S/C9H14ClNOS/c1-6(2)3-4-7(12)9-11-5-8(10)13-9/h5-7,12H,3-4H2,1-2H3
InChIKeyZDCBMWGHFXLDOV-UHFFFAOYSA-N
MW219.74 g/mol
LogP3.27
Rot. Bonds4

About 1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol

1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol (PubChem CID 107124807) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol
PubChem CID107124807
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol
SMILESCC(C)CCC(O)c1ncc(Cl)s1
InChIInChI=1S/C9H14ClNOS/c1-6(2)3-4-7(12)9-11-5-8(10)13-9/h5-7,12H,3-4H2,1-2H3
InChIKeyZDCBMWGHFXLDOV-UHFFFAOYSA-N
XLogP3.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 53.27
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)-4-methylpentan-1-ol?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol (CID 107124807) is 1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol is CC(C)CCC(O)c1ncc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol?
The InChIKey is ZDCBMWGHFXLDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNOS/c1-6(2)3-4-7(12)9-11-5-8(10)13-9/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol?
1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol has a molecular weight of 219.74 g/mol, XLogP of 3.27, 4 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)-4-methylpentan-1-ol is sourced from PubChem (CID 107124807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).