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

C9H14N2OS — CID 130874616

IUPAC1-methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol
SMILESCc1cc(C2(O)CCN(C)C2)sn1
InChIInChI=1S/C9H14N2OS/c1-7-5-8(13-10-7)9(12)3-4-11(2)6-9/h5,12H,3-4,6H2,1-2H3
InChIKeyFZACJFWIHYXCAY-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.97
Rot. Bonds1

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

1-methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol (PubChem CID 130874616) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol
PubChem CID130874616
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol
SMILESCc1cc(C2(O)CCN(C)C2)sn1
InChIInChI=1S/C9H14N2OS/c1-7-5-8(13-10-7)9(12)3-4-11(2)6-9/h5,12H,3-4,6H2,1-2H3
InChIKeyFZACJFWIHYXCAY-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(Fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol
CID 141093201
1-Ethyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 69534542
4-(3-Methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 69534552
1-Methyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 130646260
3-Methyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 126985751
1-Methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 130625922
1-Amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 130639475
1-(3-Methyl-1,2-thiazol-5-yl)cyclopentan-1-ol
CID 130689663
(3-Methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol
CID 130715194
1-(3-Methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol
CID 130857619
2-Methyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol
CID 130898884
2-(Azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130935016

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol (CID 130874616) is 1-methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol is Cc1cc(C2(O)CCN(C)C2)sn1.
What is the InChIKey of 1-methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is FZACJFWIHYXCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-5-8(13-10-7)9(12)3-4-11(2)6-9/h5,12H,3-4,6H2,1-2H3.
What are the key properties of 1-methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol?
1-methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 198.29 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 130874616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).