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

C9H14N2OS — CID 164653667

IUPAC(2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol
SMILESCc1nc(C(O)[C@H]2CCNC2)cs1
InChIInChI=1S/C9H14N2OS/c1-6-11-8(5-13-6)9(12)7-2-3-10-4-7/h5,7,9-10,12H,2-4H2,1H3/t7-,9?/m0/s1
InChIKeyKWSJVVRFIXLSSK-JAVCKPHESA-N
MW198.29 g/mol
LogP1.09
Rot. Bonds2

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

(2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol (PubChem CID 164653667) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol
PubChem CID164653667
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol
SMILESCc1nc(C(O)[C@H]2CCNC2)cs1
InChIInChI=1S/C9H14N2OS/c1-6-11-8(5-13-6)9(12)7-2-3-10-4-7/h5,7,9-10,12H,2-4H2,1H3/t7-,9?/m0/s1
InChIKeyKWSJVVRFIXLSSK-JAVCKPHESA-N
XLogP1.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol
CID 164653665
cyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 83684011
(2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol
CID 130964765
(5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol
CID 83693932
4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol
CID 43670089
(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 124505318
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 103782650
1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride
CID 122156676
2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 137495706
(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 28819519
4-(dibromomethyl)-2-methyl-1,3-thiazole
CID 119088205

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol (CID 164653667) is (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol is Cc1nc(C(O)[C@H]2CCNC2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol?
The InChIKey is KWSJVVRFIXLSSK-JAVCKPHESA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-11-8(5-13-6)9(12)7-2-3-10-4-7/h5,7,9-10,12H,2-4H2,1H3/t7-,9?/m0/s1.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol?
(2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol has a molecular weight of 198.29 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol is sourced from PubChem (CID 164653667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).