(2,2-dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol

C9H13NOS — CID 130942687

IUPAC(2,2-dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol
SMILESCC1(C)CC1C(O)c1ccns1
InChIInChI=1S/C9H13NOS/c1-9(2)5-6(9)8(11)7-3-4-10-12-7/h3-4,6,8,11H,5H2,1-2H3
InChIKeyMKRGMNMTJXLREV-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.22
Rot. Bonds2

About (2,2-dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol

(2,2-dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol (PubChem CID 130942687) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol
PubChem CID130942687
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name(2,2-dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol
SMILESCC1(C)CC1C(O)c1ccns1
InChIInChI=1S/C9H13NOS/c1-9(2)5-6(9)8(11)7-3-4-10-12-7/h3-4,6,8,11H,5H2,1-2H3
InChIKeyMKRGMNMTJXLREV-UHFFFAOYSA-N
XLogP2.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913778
(3,3-Difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol
CID 130826100
2-(2,2-Difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 164652164
3-Cyclohexyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 59949219
1-(Isothiazol-5-yl)ethan-1-ol
CID 119029079
(1S)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913777
2-Methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol
CID 130646530
2,2-Dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol
CID 130697692
3-(1,2-Thiazol-5-yl)butan-2-ol
CID 130801038
2-Methyl-1-(1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130826090
Cyclopentyl(1,2-thiazol-5-yl)methanol
CID 130826273
2,2-Dimethyl-1-(1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130856978

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (2,2-dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol (CID 130942687) is (2,2-dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol is CC1(C)CC1C(O)c1ccns1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is MKRGMNMTJXLREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-9(2)5-6(9)8(11)7-3-4-10-12-7/h3-4,6,8,11H,5H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol?
(2,2-dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 183.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 130942687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).