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

C10H16N2OS — CID 130857619

IUPAC1-(3-methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol
SMILESCc1cc(C(C)(O)C2CCNC2)sn1
InChIInChI=1S/C10H16N2OS/c1-7-5-9(14-12-7)10(2,13)8-3-4-11-6-8/h5,8,11,13H,3-4,6H2,1-2H3
InChIKeyNICQRDBNJUBLOY-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.27
Rot. Bonds2

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

1-(3-methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol (PubChem CID 130857619) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(3-methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol.

Molecular Properties

Compound Name1-(3-methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol
PubChem CID130857619
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-(3-methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol
SMILESCc1cc(C(C)(O)C2CCNC2)sn1
InChIInChI=1S/C10H16N2OS/c1-7-5-9(14-12-7)10(2,13)8-3-4-11-6-8/h5,8,11,13H,3-4,6H2,1-2H3
InChIKeyNICQRDBNJUBLOY-UHFFFAOYSA-N
XLogP1.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
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
4-[(3-Methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol
CID 90419738
2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol
CID 121315885
1-Methyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 130646260
2-[3-[(6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol
CID 145069790
3-Methyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 126985751
1-Amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 130639475
2-Methyl-2-(methylamino)-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 130671787
2,4-Dimethyl-3-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol
CID 130688439
(3-Methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol
CID 130715194

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol?
The IUPAC name of 1-(3-methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol (CID 130857619) is 1-(3-methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol.
What is the SMILES notation for 1-(3-methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol?
The canonical SMILES for 1-(3-methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol is Cc1cc(C(C)(O)C2CCNC2)sn1.
What is the InChIKey of 1-(3-methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol?
The InChIKey is NICQRDBNJUBLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-5-9(14-12-7)10(2,13)8-3-4-11-6-8/h5,8,11,13H,3-4,6H2,1-2H3.
What are the key properties of 1-(3-methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol?
1-(3-methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol has a molecular weight of 212.32 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol is sourced from PubChem (CID 130857619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).