[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol

C9H13NOS — CID 107924752

IUPAC[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol
SMILESCC1(C)CC1c1nc(CO)cs1
InChIInChI=1S/C9H13NOS/c1-9(2)3-7(9)8-10-6(4-11)5-12-8/h5,7,11H,3-4H2,1-2H3
InChIKeyWJPSXEPNFZKJKG-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.15
Rot. Bonds2

About [2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol

[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol (PubChem CID 107924752) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is [2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol
PubChem CID107924752
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol
SMILESCC1(C)CC1c1nc(CO)cs1
InChIInChI=1S/C9H13NOS/c1-9(2)3-7(9)8-10-6(4-11)5-12-8/h5,7,11H,3-4H2,1-2H3
InChIKeyWJPSXEPNFZKJKG-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole
CID 107924795
2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
CID 82670376
N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 107925898
N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 107925558
2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone
CID 107925301
[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol
CID 115088342
2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]propan-2-amine
CID 107925925
ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925303
[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol
CID 79666984
methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925304
3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine
CID 107925920
4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole
CID 107924759

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol (CID 107924752) is [2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol is CC1(C)CC1c1nc(CO)cs1.
What is the InChIKey of [2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is WJPSXEPNFZKJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-9(2)3-7(9)8-10-6(4-11)5-12-8/h5,7,11H,3-4H2,1-2H3.
What are the key properties of [2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol?
[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 183.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 107924752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).