N-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine

C12H15N3S — CID 80524528

IUPACN-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(-c2ccncc2)ns1
InChIInChI=1S/C12H15N3S/c1-2-5-14-9-11-8-12(15-16-11)10-3-6-13-7-4-10/h3-4,6-8,14H,2,5,9H2,1H3
InChIKeyNYRIAXVNAMXTHO-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.70
Rot. Bonds5

About N-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine

N-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 80524528) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine
PubChem CID80524528
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(-c2ccncc2)ns1
InChIInChI=1S/C12H15N3S/c1-2-5-14-9-11-8-12(15-16-11)10-3-6-13-7-4-10/h3-4,6-8,14H,2,5,9H2,1H3
InChIKeyNYRIAXVNAMXTHO-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.70
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

N-[[5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 112755681
N-propyl-N'-pyridin-4-ylethane-1,2-diamine
CID 62664105
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 78971667
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine
CID 65268415
N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129658
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62431655
N-[[5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 112755708
N-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine
CID 114865041
N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine
CID 114254901
N-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 115528167
N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62430771

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine (CID 80524528) is N-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine is CCCNCc1cc(-c2ccncc2)ns1.
What is the InChIKey of N-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is NYRIAXVNAMXTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-5-14-9-11-8-12(15-16-11)10-3-6-13-7-4-10/h3-4,6-8,14H,2,5,9H2,1H3.
What are the key properties of N-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine?
N-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 233.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 80524528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).