3-[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]propan-1-ol

C11H13N3OS — CID 173120239

IUPAC3-[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]propan-1-ol
SMILESOCCCNc1ccc(-c2nccs2)cn1
InChIInChI=1S/C11H13N3OS/c15-6-1-4-12-10-3-2-9(8-14-10)11-13-5-7-16-11/h2-3,5,7-8,15H,1,4,6H2,(H,12,14)
InChIKeySIDOROITTUHMSU-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.00
Rot. Bonds5

About 3-[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]propan-1-ol

3-[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]propan-1-ol (PubChem CID 173120239) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]propan-1-ol
PubChem CID173120239
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name3-[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]propan-1-ol
SMILESOCCCNc1ccc(-c2nccs2)cn1
InChIInChI=1S/C11H13N3OS/c15-6-1-4-12-10-3-2-9(8-14-10)11-13-5-7-16-11/h2-3,5,7-8,15H,1,4,6H2,(H,12,14)
InChIKeySIDOROITTUHMSU-UHFFFAOYSA-N
XLogP2.00
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]propan-1-ol (CID 173120239) is 3-[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]propan-1-ol is OCCCNc1ccc(-c2nccs2)cn1.
What is the InChIKey of 3-[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]propan-1-ol?
The InChIKey is SIDOROITTUHMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c15-6-1-4-12-10-3-2-9(8-14-10)11-13-5-7-16-11/h2-3,5,7-8,15H,1,4,6H2,(H,12,14).
What are the key properties of 3-[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]propan-1-ol?
3-[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]propan-1-ol has a molecular weight of 235.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 173120239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).