2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol

C12H20N2OS — CID 82515336

IUPAC2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1csc(CCN2CCCC2)n1
InChIInChI=1S/C12H20N2OS/c1-12(2,15)10-9-16-11(13-10)5-8-14-6-3-4-7-14/h9,15H,3-8H2,1-2H3
InChIKeyQQYIDZWHCJVRKK-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.01
Rot. Bonds4

About 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol

2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 82515336) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol
PubChem CID82515336
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1csc(CCN2CCCC2)n1
InChIInChI=1S/C12H20N2OS/c1-12(2,15)10-9-16-11(13-10)5-8-14-6-3-4-7-14/h9,15H,3-8H2,1-2H3
InChIKeyQQYIDZWHCJVRKK-UHFFFAOYSA-N
XLogP2.01
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-ol
CID 82515229
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515335
2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515189
2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 82515228
N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine
CID 82193993
2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile
CID 82515352
2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115089632
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]acetonitrile
CID 82515340
2-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-(chloromethyl)-1,3-thiazole
CID 61433252
1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione
CID 118889134
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 82514922
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-propylazepan-4-ol
CID 79827475

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol (CID 82515336) is 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol is CC(C)(O)c1csc(CCN2CCCC2)n1.
What is the InChIKey of 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is QQYIDZWHCJVRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-12(2,15)10-9-16-11(13-10)5-8-14-6-3-4-7-14/h9,15H,3-8H2,1-2H3.
What are the key properties of 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol?
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 240.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 82515336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).