(2-cyclopropyl-1,3-thiazol-5-yl)methanol

C7H9NOS — CID 53395568

IUPAC(2-cyclopropyl-1,3-thiazol-5-yl)methanol
SMILESOCc1cnc(C2CC2)s1
InChIInChI=1S/C7H9NOS/c9-4-6-3-8-7(10-6)5-1-2-5/h3,5,9H,1-2,4H2
InChIKeyPRWLWJHRNASHSJ-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.51
Rot. Bonds2

About (2-cyclopropyl-1,3-thiazol-5-yl)methanol

(2-cyclopropyl-1,3-thiazol-5-yl)methanol (PubChem CID 53395568) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is (2-cyclopropyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-cyclopropyl-1,3-thiazol-5-yl)methanol
PubChem CID53395568
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name(2-cyclopropyl-1,3-thiazol-5-yl)methanol
SMILESOCc1cnc(C2CC2)s1
InChIInChI=1S/C7H9NOS/c9-4-6-3-8-7(10-6)5-1-2-5/h3,5,9H,1-2,4H2
InChIKeyPRWLWJHRNASHSJ-UHFFFAOYSA-N
XLogP1.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-cyclopropyl-1,3-thiazol-5-yl)methanol (CID 53395568) is (2-cyclopropyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-cyclopropyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-cyclopropyl-1,3-thiazol-5-yl)methanol is OCc1cnc(C2CC2)s1.
What is the InChIKey of (2-cyclopropyl-1,3-thiazol-5-yl)methanol?
The InChIKey is PRWLWJHRNASHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c9-4-6-3-8-7(10-6)5-1-2-5/h3,5,9H,1-2,4H2.
What are the key properties of (2-cyclopropyl-1,3-thiazol-5-yl)methanol?
(2-cyclopropyl-1,3-thiazol-5-yl)methanol has a molecular weight of 155.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 53395568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).