N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine

C17H25N3S — CID 78921085

IUPACN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine
SMILESCCCCCCCCNCc1csc(-c2ccccn2)n1
InChIInChI=1S/C17H25N3S/c1-2-3-4-5-6-8-11-18-13-15-14-21-17(20-15)16-10-7-9-12-19-16/h7,9-10,12,14,18H,2-6,8,11,13H2,1H3
InChIKeyQWNVLSCOCMGSNC-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.66
Rot. Bonds10

About N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine (PubChem CID 78921085) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine.

Molecular Properties

Compound NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine
PubChem CID78921085
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine
SMILESCCCCCCCCNCc1csc(-c2ccccn2)n1
InChIInChI=1S/C17H25N3S/c1-2-3-4-5-6-8-11-18-13-15-14-21-17(20-15)16-10-7-9-12-19-16/h7,9-10,12,14,18H,2-6,8,11,13H2,1H3
InChIKeyQWNVLSCOCMGSNC-UHFFFAOYSA-N
XLogP4.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115576823
5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol
CID 107302977
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
3-methylsulfinyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115632903
2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234329
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide
CID 108748833
3-propan-2-yloxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 43234375
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 60863942
N'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 119126486
2-methylsulfonyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 47267496
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108748809

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine?
The IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine (CID 78921085) is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine.
What is the SMILES notation for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine?
The canonical SMILES for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine is CCCCCCCCNCc1csc(-c2ccccn2)n1.
What is the InChIKey of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine?
The InChIKey is QWNVLSCOCMGSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-2-3-4-5-6-8-11-18-13-15-14-21-17(20-15)16-10-7-9-12-19-16/h7,9-10,12,14,18H,2-6,8,11,13H2,1H3.
What are the key properties of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine?
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine is sourced from PubChem (CID 78921085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).