1-cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol

C9H13NOS — CID 126985747

IUPAC1-cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
SMILESCC(O)(CC1CC1)c1ccsn1
InChIInChI=1S/C9H13NOS/c1-9(11,6-7-2-3-7)8-4-5-12-10-8/h4-5,7,11H,2-3,6H2,1H3
InChIKeyNWDFHMWFPMYMRK-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.15
Rot. Bonds3

About 1-cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol

1-cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol (PubChem CID 126985747) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
PubChem CID126985747
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
SMILESCC(O)(CC1CC1)c1ccsn1
InChIInChI=1S/C9H13NOS/c1-9(11,6-7-2-3-7)8-4-5-12-10-8/h4-5,7,11H,2-3,6H2,1H3
InChIKeyNWDFHMWFPMYMRK-UHFFFAOYSA-N
XLogP2.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
CID 165492024
5-Methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol
CID 176629056
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 126985705
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 126985713
3,3-Dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 126985715
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567
4-Methyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002594
2-Ethyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002598
1-Cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002599

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol?
The IUPAC name of 1-cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol (CID 126985747) is 1-cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol?
The canonical SMILES for 1-cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol is CC(O)(CC1CC1)c1ccsn1.
What is the InChIKey of 1-cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol?
The InChIKey is NWDFHMWFPMYMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-9(11,6-7-2-3-7)8-4-5-12-10-8/h4-5,7,11H,2-3,6H2,1H3.
What are the key properties of 1-cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol?
1-cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol has a molecular weight of 183.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol is sourced from PubChem (CID 126985747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).