(3-methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol

C9H14N2OS — CID 130715194

IUPAC(3-methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol
SMILESCc1cc(C(O)C2CCCN2)sn1
InChIInChI=1S/C9H14N2OS/c1-6-5-8(13-11-6)9(12)7-3-2-4-10-7/h5,7,9-10,12H,2-4H2,1H3
InChIKeyQHVNOMDREHBIII-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.24
Rot. Bonds2

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

(3-methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol (PubChem CID 130715194) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol
PubChem CID130715194
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol
SMILESCc1cc(C(O)C2CCCN2)sn1
InChIInChI=1S/C9H14N2OS/c1-6-5-8(13-11-6)9(12)7-3-2-4-10-7/h5,7,9-10,12H,2-4H2,1H3
InChIKeyQHVNOMDREHBIII-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol
CID 18372918
(Z)-2-[(3-ethyl-1,2-thiazol-5-yl)-hydroxymethyl]-3-(methylamino)prop-2-enimidoyl bromide
CID 166836556
2-(3-Methyl-1,2-thiazol-5-yl)piperidin-3-ol
CID 112488163
2-(5-Methyl-1,2-thiazol-3-yl)piperidin-3-ol
CID 112488164
2-(3-Methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 112489053
2-Amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 112489533
3-Amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 126985727
2-(5-Methyl-1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 129977186
2-Methyl-2-(methylamino)-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 130671787
2-Amino-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130690765
Pyrrolidin-2-yl(1,2-thiazol-3-yl)methanol
CID 130725448
1-(3-Methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol
CID 130857619

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol (CID 130715194) is (3-methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol is Cc1cc(C(O)C2CCCN2)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol?
The InChIKey is QHVNOMDREHBIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-5-8(13-11-6)9(12)7-3-2-4-10-7/h5,7,9-10,12H,2-4H2,1H3.
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol?
(3-methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol has a molecular weight of 198.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 130715194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).