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

C7H9NOS — CID 63907038

IUPAC(4-cyclopropyl-1,3-thiazol-2-yl)methanol
SMILESOCc1nc(C2CC2)cs1
InChIInChI=1S/C7H9NOS/c9-3-7-8-6(4-10-7)5-1-2-5/h4-5,9H,1-3H2
InChIKeyBKDYOUFIADRAQY-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.51
Rot. Bonds2

About (4-cyclopropyl-1,3-thiazol-2-yl)methanol

(4-cyclopropyl-1,3-thiazol-2-yl)methanol (PubChem CID 63907038) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is (4-cyclopropyl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(4-cyclopropyl-1,3-thiazol-2-yl)methanol
PubChem CID63907038
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name(4-cyclopropyl-1,3-thiazol-2-yl)methanol
SMILESOCc1nc(C2CC2)cs1
InChIInChI=1S/C7H9NOS/c9-3-7-8-6(4-10-7)5-1-2-5/h4-5,9H,1-3H2
InChIKeyBKDYOUFIADRAQY-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 (4-cyclopropyl-1,3-thiazol-2-yl)methanol?
The IUPAC name of (4-cyclopropyl-1,3-thiazol-2-yl)methanol (CID 63907038) is (4-cyclopropyl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (4-cyclopropyl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (4-cyclopropyl-1,3-thiazol-2-yl)methanol is OCc1nc(C2CC2)cs1.
What is the InChIKey of (4-cyclopropyl-1,3-thiazol-2-yl)methanol?
The InChIKey is BKDYOUFIADRAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c9-3-7-8-6(4-10-7)5-1-2-5/h4-5,9H,1-3H2.
What are the key properties of (4-cyclopropyl-1,3-thiazol-2-yl)methanol?
(4-cyclopropyl-1,3-thiazol-2-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 (4-cyclopropyl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 63907038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).