1,5-dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol

C9H14N2OS — CID 131150996

IUPAC1,5-dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
SMILESCC1CC(O)(c2ccns2)CN1C
InChIInChI=1S/C9H14N2OS/c1-7-5-9(12,6-11(7)2)8-3-4-10-13-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyXLXVZYLSBHZBHQ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.05
Rot. Bonds1

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

1,5-dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol (PubChem CID 131150996) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1,5-dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1,5-dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
PubChem CID131150996
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1,5-dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
SMILESCC1CC(O)(c2ccns2)CN1C
InChIInChI=1S/C9H14N2OS/c1-7-5-9(12,6-11(7)2)8-3-4-10-13-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyXLXVZYLSBHZBHQ-UHFFFAOYSA-N
XLogP1.05
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol
CID 164764062
1,1-Bis(1,2-thiazol-5-yl)ethan-1-ol
CID 27282123
1-Methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 130874616
4-Methyl-2-(1,2-thiazol-5-yl)pentan-2-ol
CID 130942700
4-(1,2-Thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 130942811
1-Methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 130952205
5-Isothiazolemethanol, I+/--methyl-I+/--(2-pyrrolidinylmethyl)-
CID 130975146
1-(1,2-Thiazol-5-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 130986278
3-(1,2-Thiazol-5-yl)pentan-3-ol
CID 131059314
1,2-Dimethyl-4-(1,2-thiazol-5-yl)piperidin-4-ol
CID 131059679
1-Cyclopropyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 131062597
[(3s)-Pyrrolidin-3-yl](1,2-thiazol-5-yl)methanol
CID 164653630

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 1,5-dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol (CID 131150996) is 1,5-dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1,5-dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 1,5-dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol is CC1CC(O)(c2ccns2)CN1C.
What is the InChIKey of 1,5-dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is XLXVZYLSBHZBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-5-9(12,6-11(7)2)8-3-4-10-13-8/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol?
1,5-dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 198.29 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 131150996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).