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

C7H10ClNOS — CID 130654817

IUPAC1-chloro-3-(3-methyl-1,2-thiazol-5-yl)propan-2-ol
SMILESCc1cc(CC(O)CCl)sn1
InChIInChI=1S/C7H10ClNOS/c1-5-2-7(11-9-5)3-6(10)4-8/h2,6,10H,3-4H2,1H3
InChIKeyYQFROANKKOUHDN-UHFFFAOYSA-N
MW191.68 g/mol
LogP1.59
Rot. Bonds3

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

1-chloro-3-(3-methyl-1,2-thiazol-5-yl)propan-2-ol (PubChem CID 130654817) has the molecular formula C7H10ClNOS and a molecular weight of 191.68 g/mol. Its IUPAC name is 1-chloro-3-(3-methyl-1,2-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(3-methyl-1,2-thiazol-5-yl)propan-2-ol
PubChem CID130654817
Molecular FormulaC7H10ClNOS
Molecular Weight191.68 g/mol
Exact Mass191.02
IUPAC Name1-chloro-3-(3-methyl-1,2-thiazol-5-yl)propan-2-ol
SMILESCc1cc(CC(O)CCl)sn1
InChIInChI=1S/C7H10ClNOS/c1-5-2-7(11-9-5)3-6(10)4-8/h2,6,10H,3-4H2,1H3
InChIKeyYQFROANKKOUHDN-UHFFFAOYSA-N
XLogP1.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130632621
2-(3-Methyl-1,2-thiazol-5-yl)ethan-1-ol
CID 83674199
I+/-,3-Dimethyl-5-isothiazoleethanol
CID 83675112
3-(3-Methyl-1,2-thiazol-5-yl)propan-1-ol
CID 126985734
3-(3-Methyl-1,2-thiazol-5-yl)butan-2-ol
CID 131134349

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-methyl-1,2-thiazol-5-yl)propan-2-ol?
The IUPAC name of 1-chloro-3-(3-methyl-1,2-thiazol-5-yl)propan-2-ol (CID 130654817) is 1-chloro-3-(3-methyl-1,2-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(3-methyl-1,2-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-chloro-3-(3-methyl-1,2-thiazol-5-yl)propan-2-ol is Cc1cc(CC(O)CCl)sn1.
What is the InChIKey of 1-chloro-3-(3-methyl-1,2-thiazol-5-yl)propan-2-ol?
The InChIKey is YQFROANKKOUHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNOS/c1-5-2-7(11-9-5)3-6(10)4-8/h2,6,10H,3-4H2,1H3.
What are the key properties of 1-chloro-3-(3-methyl-1,2-thiazol-5-yl)propan-2-ol?
1-chloro-3-(3-methyl-1,2-thiazol-5-yl)propan-2-ol has a molecular weight of 191.68 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-methyl-1,2-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 130654817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).