5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine

C12H15N3S — CID 104599847

IUPAC5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCCCc1cnc(NCc2ccncc2)s1
InChIInChI=1S/C12H15N3S/c1-2-3-11-9-15-12(16-11)14-8-10-4-6-13-7-5-10/h4-7,9H,2-3,8H2,1H3,(H,14,15)
InChIKeyISFKPCLBYLKRMG-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.10
Rot. Bonds5

About 5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine

5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 104599847) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID104599847
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCCCc1cnc(NCc2ccncc2)s1
InChIInChI=1S/C12H15N3S/c1-2-3-11-9-15-12(16-11)14-8-10-4-6-13-7-5-10/h4-7,9H,2-3,8H2,1H3,(H,14,15)
InChIKeyISFKPCLBYLKRMG-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-propyl-N-(1,2-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
CID 136574616
5-propyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 104599839
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine
CID 104599843
N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine
CID 75505668
5-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 104599802
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine
CID 86790671
N-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 138042515
N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine
CID 79774348
5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
CID 104599771
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylmethanamine
CID 63032797
N-benzyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine dichloride
CID 25000777
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine (CID 104599847) is 5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine is CCCc1cnc(NCc2ccncc2)s1.
What is the InChIKey of 5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is ISFKPCLBYLKRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-3-11-9-15-12(16-11)14-8-10-4-6-13-7-5-10/h4-7,9H,2-3,8H2,1H3,(H,14,15).
What are the key properties of 5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 104599847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).