5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol

C13H18N4OS — CID 107324546

IUPAC5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol
SMILESNc1nsc(NCCCCCO)c1-c1cccnc1
InChIInChI=1S/C13H18N4OS/c14-12-11(10-5-4-6-15-9-10)13(19-17-12)16-7-2-1-3-8-18/h4-6,9,16,18H,1-3,7-8H2,(H2,14,17)
InChIKeyRIRUFQMNMMMWND-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.36
Rot. Bonds7

About 5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol

5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol (PubChem CID 107324546) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol
PubChem CID107324546
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol
SMILESNc1nsc(NCCCCCO)c1-c1cccnc1
InChIInChI=1S/C13H18N4OS/c14-12-11(10-5-4-6-15-9-10)13(19-17-12)16-7-2-1-3-8-18/h4-6,9,16,18H,1-3,7-8H2,(H2,14,17)
InChIKeyRIRUFQMNMMMWND-UHFFFAOYSA-N
XLogP2.36
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.36
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 5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol (CID 107324546) is 5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol is Nc1nsc(NCCCCCO)c1-c1cccnc1.
What is the InChIKey of 5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol?
The InChIKey is RIRUFQMNMMMWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c14-12-11(10-5-4-6-15-9-10)13(19-17-12)16-7-2-1-3-8-18/h4-6,9,16,18H,1-3,7-8H2,(H2,14,17).
What are the key properties of 5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol?
5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol has a molecular weight of 278.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol is sourced from PubChem (CID 107324546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).