(1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol

C6H8ClNOS — CID 101008965

IUPAC(1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1ncsc1[C@@H](O)CCl
InChIInChI=1S/C6H8ClNOS/c1-4-6(5(9)2-7)10-3-8-4/h3,5,9H,2H2,1H3/t5-/m0/s1
InChIKeyOOKATFCTRGAPQX-YFKPBYRVSA-N
MW177.66 g/mol
LogP1.72
Rot. Bonds2

About (1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol

(1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol (PubChem CID 101008965) has the molecular formula C6H8ClNOS and a molecular weight of 177.66 g/mol. Its IUPAC name is (1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol
PubChem CID101008965
Molecular FormulaC6H8ClNOS
Molecular Weight177.66 g/mol
Exact Mass177.00
IUPAC Name(1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1ncsc1[C@@H](O)CCl
InChIInChI=1S/C6H8ClNOS/c1-4-6(5(9)2-7)10-3-8-4/h3,5,9H,2H2,1H3/t5-/m0/s1
InChIKeyOOKATFCTRGAPQX-YFKPBYRVSA-N
XLogP1.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 51.72
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

5-methyl-1-(4-methyl-1,3-thiazol-5-yl)hexan-1-ol
CID 105122728
1-(4-methyl-1,3-thiazol-5-yl)nonan-1-ol
CID 105085734
2-cyclopentyl-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105090377
2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 82398162
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105107414
2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105087638
1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 82416051
2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105132939
(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105081796
2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105124092
(3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101846
ethyl (3R)-2,3-dihydroxy-3-(4-methyl-1,3-thiazol-5-yl)propanoate
CID 175760966

Frequently Asked Questions

What is the IUPAC name of (1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of (1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol (CID 101008965) is (1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for (1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for (1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol is Cc1ncsc1[C@@H](O)CCl.
What is the InChIKey of (1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is OOKATFCTRGAPQX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8ClNOS/c1-4-6(5(9)2-7)10-3-8-4/h3,5,9H,2H2,1H3/t5-/m0/s1.
What are the key properties of (1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
(1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 177.66 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 101008965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).