3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol

C15H20N4OS — CID 70736578

IUPAC3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol
SMILESOC1(CNCCc2csc(-c3cccnc3)n2)CCNC1
InChIInChI=1S/C15H20N4OS/c20-15(4-7-18-11-15)10-17-6-3-13-9-21-14(19-13)12-2-1-5-16-8-12/h1-2,5,8-9,17-18,20H,3-4,6-7,10-11H2
InChIKeySBFQQZVFNYHVOG-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.06
Rot. Bonds6

About 3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol

3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol (PubChem CID 70736578) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol
PubChem CID70736578
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol
SMILESOC1(CNCCc2csc(-c3cccnc3)n2)CCNC1
InChIInChI=1S/C15H20N4OS/c20-15(4-7-18-11-15)10-17-6-3-13-9-21-14(19-13)12-2-1-5-16-8-12/h1-2,5,8-9,17-18,20H,3-4,6-7,10-11H2
InChIKeySBFQQZVFNYHVOG-UHFFFAOYSA-N
XLogP1.06
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol (CID 70736578) is 3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol is OC1(CNCCc2csc(-c3cccnc3)n2)CCNC1.
What is the InChIKey of 3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol?
The InChIKey is SBFQQZVFNYHVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c20-15(4-7-18-11-15)10-17-6-3-13-9-21-14(19-13)12-2-1-5-16-8-12/h1-2,5,8-9,17-18,20H,3-4,6-7,10-11H2.
What are the key properties of 3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol?
3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol has a molecular weight of 304.42 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70736578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).