1-(2-methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol

C10H15NOS — CID 130647551

IUPAC1-(2-methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol
SMILESCc1cc(C(C)(O)C2CC2C)sn1
InChIInChI=1S/C10H15NOS/c1-6-4-8(6)10(3,12)9-5-7(2)11-13-9/h5-6,8,12H,4H2,1-3H3
InChIKeyNRHYAYVVCGAFHF-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.32
Rot. Bonds2

About 1-(2-methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol

1-(2-methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol (PubChem CID 130647551) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-(2-methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol
PubChem CID130647551
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1-(2-methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol
SMILESCc1cc(C(C)(O)C2CC2C)sn1
InChIInChI=1S/C10H15NOS/c1-6-4-8(6)10(3,12)9-5-7(2)11-13-9/h5-6,8,12H,4H2,1-3H3
InChIKeyNRHYAYVVCGAFHF-UHFFFAOYSA-N
XLogP2.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol?
The IUPAC name of 1-(2-methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol (CID 130647551) is 1-(2-methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(2-methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol is Cc1cc(C(C)(O)C2CC2C)sn1.
What is the InChIKey of 1-(2-methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol?
The InChIKey is NRHYAYVVCGAFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-6-4-8(6)10(3,12)9-5-7(2)11-13-9/h5-6,8,12H,4H2,1-3H3.
What are the key properties of 1-(2-methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol?
1-(2-methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol has a molecular weight of 197.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 130647551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).