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

C16H23N3OS — CID 115576823

IUPAC3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCCOCCCNCc1csc(-c2ccccn2)n1
InChIInChI=1S/C16H23N3OS/c1-2-3-10-20-11-6-8-17-12-14-13-21-16(19-14)15-7-4-5-9-18-15/h4-5,7,9,13,17H,2-3,6,8,10-12H2,1H3
InChIKeyOZJWPGPSRPNFGI-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.50
Rot. Bonds10

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

3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 115576823) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID115576823
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCCOCCCNCc1csc(-c2ccccn2)n1
InChIInChI=1S/C16H23N3OS/c1-2-3-10-20-11-6-8-17-12-14-13-21-16(19-14)15-7-4-5-9-18-15/h4-5,7,9,13,17H,2-3,6,8,10-12H2,1H3
InChIKeyOZJWPGPSRPNFGI-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
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
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-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethoxy]ethanol
CID 43234376
2-[2-(dimethylamino)ethoxy]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 103080818
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
5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol
CID 107302977
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
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine (CID 115576823) is 3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine is CCCCOCCCNCc1csc(-c2ccccn2)n1.
What is the InChIKey of 3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is OZJWPGPSRPNFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-2-3-10-20-11-6-8-17-12-14-13-21-16(19-14)15-7-4-5-9-18-15/h4-5,7,9,13,17H,2-3,6,8,10-12H2,1H3.
What are the key properties of 3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine?
3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine has a molecular weight of 305.45 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115576823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).