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

C14H19N3OS — CID 107302977

IUPAC5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol
SMILESOCCCCCNCc1csc(-c2ccccn2)n1
InChIInChI=1S/C14H19N3OS/c18-9-5-1-3-7-15-10-12-11-19-14(17-12)13-6-2-4-8-16-13/h2,4,6,8,11,15,18H,1,3,5,7,9-10H2
InChIKeyRFWIQPUENDAOQW-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.46
Rot. Bonds8

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

5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol (PubChem CID 107302977) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol
PubChem CID107302977
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol
SMILESOCCCCCNCc1csc(-c2ccccn2)n1
InChIInChI=1S/C14H19N3OS/c18-9-5-1-3-7-15-10-12-11-19-14(17-12)13-6-2-4-8-16-13/h2,4,6,8,11,15,18H,1,3,5,7,9-10H2
InChIKeyRFWIQPUENDAOQW-UHFFFAOYSA-N
XLogP2.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.46
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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Related Compounds

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine
CID 78921085
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 60893739
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
2-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethoxy]ethanol
CID 43234376
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 60863942
3-methylsulfinyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115632903
N'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 119126486
3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115576823
3-propan-2-yloxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 43234375
2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234329
2-methylsulfonyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 47267496
N-propan-2-yl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115582676

Frequently Asked Questions

What is the IUPAC name of 5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol (CID 107302977) is 5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol is OCCCCCNCc1csc(-c2ccccn2)n1.
What is the InChIKey of 5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is RFWIQPUENDAOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c18-9-5-1-3-7-15-10-12-11-19-14(17-12)13-6-2-4-8-16-13/h2,4,6,8,11,15,18H,1,3,5,7,9-10H2.
What are the key properties of 5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol?
5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 277.39 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 107302977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).