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

C8H12N2OS — CID 104853412

IUPAC[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
SMILESOCc1nc([C@H]2CCCN2)cs1
InChIInChI=1S/C8H12N2OS/c11-4-8-10-7(5-12-8)6-2-1-3-9-6/h5-6,9,11H,1-4H2/t6-/m1/s1
InChIKeyYMQXZLGZAFZTJU-ZCFIWIBFSA-N
MW184.26 g/mol
LogP1.06
Rot. Bonds2

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

[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol (PubChem CID 104853412) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is [4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
PubChem CID104853412
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
SMILESOCc1nc([C@H]2CCCN2)cs1
InChIInChI=1S/C8H12N2OS/c11-4-8-10-7(5-12-8)6-2-1-3-9-6/h5-6,9,11H,1-4H2/t6-/m1/s1
InChIKeyYMQXZLGZAFZTJU-ZCFIWIBFSA-N
XLogP1.06
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446
2-(cyclopropylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853410
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422
4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 104853425
2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 95430246
4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole
CID 104928834
4-pyrrolidin-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazole
CID 114456941
2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456781
2-(propylsulfanylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853401
4-[(2S)-pyrrolidin-2-yl]-2-(thiophen-2-ylmethyl)-1,3-thiazole
CID 104928655
2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456938

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol (CID 104853412) is [4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol is OCc1nc([C@H]2CCCN2)cs1.
What is the InChIKey of [4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol?
The InChIKey is YMQXZLGZAFZTJU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N2OS/c11-4-8-10-7(5-12-8)6-2-1-3-9-6/h5-6,9,11H,1-4H2/t6-/m1/s1.
What are the key properties of [4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol?
[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol has a molecular weight of 184.26 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 104853412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).