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

C8H12N2OS — CID 62753317

IUPAC(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol
SMILESOCc1cnc(N2CCCC2)s1
InChIInChI=1S/C8H12N2OS/c11-6-7-5-9-8(12-7)10-3-1-2-4-10/h5,11H,1-4,6H2
InChIKeyPQUQSBNCRFTOBK-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.24
Rot. Bonds2

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

(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol (PubChem CID 62753317) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is (2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol
PubChem CID62753317
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol
SMILESOCc1cnc(N2CCCC2)s1
InChIInChI=1S/C8H12N2OS/c11-6-7-5-9-8(12-7)10-3-1-2-4-10/h5,11H,1-4,6H2
InChIKeyPQUQSBNCRFTOBK-UHFFFAOYSA-N
XLogP1.24
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol (CID 62753317) is (2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol is OCc1cnc(N2CCCC2)s1.
What is the InChIKey of (2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol?
The InChIKey is PQUQSBNCRFTOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c11-6-7-5-9-8(12-7)10-3-1-2-4-10/h5,11H,1-4,6H2.
What are the key properties of (2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol?
(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol has a molecular weight of 184.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 62753317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).