1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol

C14H24N2OS — CID 110020463

IUPAC1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCCCCc1nc(CN2CCC(C(C)O)C2)cs1
InChIInChI=1S/C14H24N2OS/c1-3-4-5-14-15-13(10-18-14)9-16-7-6-12(8-16)11(2)17/h10-12,17H,3-9H2,1-2H3
InChIKeyJQODWIPHGLVBFG-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.69
Rot. Bonds6

About 1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol

1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 110020463) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID110020463
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCCCCc1nc(CN2CCC(C(C)O)C2)cs1
InChIInChI=1S/C14H24N2OS/c1-3-4-5-14-15-13(10-18-14)9-16-7-6-12(8-16)11(2)17/h10-12,17H,3-9H2,1-2H3
InChIKeyJQODWIPHGLVBFG-UHFFFAOYSA-N
XLogP2.69
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628440
1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 56826401
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780
1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115966903
ethyl 4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylate
CID 112628264
(2S)-2-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51941289
N-[(3R)-1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanesulfonamide
CID 94825826
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104609
2-butyl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95331583
1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 111113942
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910148

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol (CID 110020463) is 1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol is CCCCc1nc(CN2CCC(C(C)O)C2)cs1.
What is the InChIKey of 1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is JQODWIPHGLVBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-4-5-14-15-13(10-18-14)9-16-7-6-12(8-16)11(2)17/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 268.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 110020463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).