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

C13H17N3S — CID 112755708

IUPACN-[[5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(-c2ccnc(C)c2)s1
InChIInChI=1S/C13H17N3S/c1-3-5-14-9-13-16-8-12(17-13)11-4-6-15-10(2)7-11/h4,6-8,14H,3,5,9H2,1-2H3
InChIKeyIWYAMDCMMYZWKU-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.01
Rot. Bonds5

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

N-[[5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 112755708) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[[5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID112755708
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[[5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(-c2ccnc(C)c2)s1
InChIInChI=1S/C13H17N3S/c1-3-5-14-9-13-16-8-12(17-13)11-4-6-15-10(2)7-11/h4,6-8,14H,3,5,9H2,1-2H3
InChIKeyIWYAMDCMMYZWKU-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.01
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

6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-5-yl]quinolin-4-amine
CID 172839407
N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 112755658
N-[[5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 112755681
N-[[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine
CID 53271955
2-ethyl-5-pyridin-4-yl-1,3-thiazole
CID 89469223
N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine
CID 131042698
1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273083
1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785061
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272372
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 53271591
N-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
CID 53273085
2-(2,4-dichlorophenyl)-N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53272585

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 112755708) is N-[[5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is CCCNCc1ncc(-c2ccnc(C)c2)s1.
What is the InChIKey of N-[[5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is IWYAMDCMMYZWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-5-14-9-13-16-8-12(17-13)11-4-6-15-10(2)7-11/h4,6-8,14H,3,5,9H2,1-2H3.
What are the key properties of N-[[5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
N-[[5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 247.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 112755708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).