2-(2,2-dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol

C11H17NOS — CID 164652917

IUPAC2-(2,2-dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol
SMILESCC1(C)CC1C(C)(O)Cc1ccns1
InChIInChI=1S/C11H17NOS/c1-10(2)7-9(10)11(3,13)6-8-4-5-12-14-8/h4-5,9,13H,6-7H2,1-3H3
InChIKeyPCWPSSQBZSTQDN-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.48
Rot. Bonds3

About 2-(2,2-dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol

2-(2,2-dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol (PubChem CID 164652917) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol
PubChem CID164652917
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(2,2-dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol
SMILESCC1(C)CC1C(C)(O)Cc1ccns1
InChIInChI=1S/C11H17NOS/c1-10(2)7-9(10)11(3,13)6-8-4-5-12-14-8/h4-5,9,13H,6-7H2,1-3H3
InChIKeyPCWPSSQBZSTQDN-UHFFFAOYSA-N
XLogP2.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Difluoro-1-[(1,2-thiazol-5-yl)methyl]cyclohex-2-en-1-ol
CID 165497805
4-Methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol
CID 155190878
1,2-Dimethyl-2-(1,2-thiazol-5-yl)cyclopentan-1-ol
CID 127017898
3-(1,2-Thiazol-5-yl)butan-2-ol
CID 130801038
2-Methyl-1-(1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130826090
2,2-Dimethyl-1-(1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130856978
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130871295
3,3-Dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol
CID 130914175
1-(2-Methylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-1-ol
CID 130917862
(2,2-Dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130942687
1-Cyclobutyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 130942693
4-Methyl-2-(1,2-thiazol-5-yl)pentan-2-ol
CID 130942700

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol (CID 164652917) is 2-(2,2-dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol is CC1(C)CC1C(C)(O)Cc1ccns1.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol?
The InChIKey is PCWPSSQBZSTQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-10(2)7-9(10)11(3,13)6-8-4-5-12-14-8/h4-5,9,13H,6-7H2,1-3H3.
What are the key properties of 2-(2,2-dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol?
2-(2,2-dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol has a molecular weight of 211.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 164652917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).