[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol

C11H18N2OS — CID 103880843

IUPAC[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
SMILESCc1nc(CCN2CCC(CO)C2)cs1
InChIInChI=1S/C11H18N2OS/c1-9-12-11(8-15-9)3-5-13-4-2-10(6-13)7-14/h8,10,14H,2-7H2,1H3
InChIKeyIFRLUXGODZBHNU-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.31
Rot. Bonds4

About [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol

[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol (PubChem CID 103880843) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
PubChem CID103880843
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
SMILESCc1nc(CCN2CCC(CO)C2)cs1
InChIInChI=1S/C11H18N2OS/c1-9-12-11(8-15-9)3-5-13-4-2-10(6-13)7-14/h8,10,14H,2-7H2,1H3
InChIKeyIFRLUXGODZBHNU-UHFFFAOYSA-N
XLogP1.31
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106033345
2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210
N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 106042299
[1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 64866462
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
3-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 91842742
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111934749
4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043577
4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 29256300
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-one
CID 62371849
2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 106043488
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933753

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol (CID 103880843) is [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol is Cc1nc(CCN2CCC(CO)C2)cs1.
What is the InChIKey of [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol?
The InChIKey is IFRLUXGODZBHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-12-11(8-15-9)3-5-13-4-2-10(6-13)7-14/h8,10,14H,2-7H2,1H3.
What are the key properties of [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol?
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol has a molecular weight of 226.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 103880843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).