4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine

C13H13ClN6S — CID 62864454

IUPAC4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
SMILESCCC(Nc1nc(Cl)nc(-n2ccnc2)n1)c1cccs1
InChIInChI=1S/C13H13ClN6S/c1-2-9(10-4-3-7-21-10)16-12-17-11(14)18-13(19-12)20-6-5-15-8-20/h3-9H,2H2,1H3,(H,16,17,18,19)
InChIKeyZBUGWJIFKAYHER-UHFFFAOYSA-N
MW320.81 g/mol
LogP3.34
Rot. Bonds5

About 4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine

4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine (PubChem CID 62864454) has the molecular formula C13H13ClN6S and a molecular weight of 320.81 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
PubChem CID62864454
Molecular FormulaC13H13ClN6S
Molecular Weight320.81 g/mol
Exact Mass320.06
IUPAC Name4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
SMILESCCC(Nc1nc(Cl)nc(-n2ccnc2)n1)c1cccs1
InChIInChI=1S/C13H13ClN6S/c1-2-9(10-4-3-7-21-10)16-12-17-11(14)18-13(19-12)20-6-5-15-8-20/h3-9H,2H2,1H3,(H,16,17,18,19)
InChIKeyZBUGWJIFKAYHER-UHFFFAOYSA-N
XLogP3.34
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine
CID 114156803
4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62864444
4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
CID 64642088
4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62864098
4-N-ethyl-6-imidazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80770959
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868995
2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 62480981
4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868980
4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62868144

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine (CID 62864454) is 4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine is CCC(Nc1nc(Cl)nc(-n2ccnc2)n1)c1cccs1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is ZBUGWJIFKAYHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6S/c1-2-9(10-4-3-7-21-10)16-12-17-11(14)18-13(19-12)20-6-5-15-8-20/h3-9H,2H2,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 320.81 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).