4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine

C12H15N7S — CID 72867929

IUPAC4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine
SMILESCn1ccnc1-c1cn(CCCc2csc(N)n2)nn1
InChIInChI=1S/C12H15N7S/c1-18-6-4-14-11(18)10-7-19(17-16-10)5-2-3-9-8-20-12(13)15-9/h4,6-8H,2-3,5H2,1H3,(H2,13,15)
InChIKeyHEJTXWFECIJXTH-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.35
Rot. Bonds5

About 4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine

4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine (PubChem CID 72867929) has the molecular formula C12H15N7S and a molecular weight of 289.37 g/mol. Its IUPAC name is 4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine
PubChem CID72867929
Molecular FormulaC12H15N7S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC Name4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine
SMILESCn1ccnc1-c1cn(CCCc2csc(N)n2)nn1
InChIInChI=1S/C12H15N7S/c1-18-6-4-14-11(18)10-7-19(17-16-10)5-2-3-9-8-20-12(13)15-9/h4,6-8H,2-3,5H2,1H3,(H2,13,15)
InChIKeyHEJTXWFECIJXTH-UHFFFAOYSA-N
XLogP1.35
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine (CID 72867929) is 4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine is Cn1ccnc1-c1cn(CCCc2csc(N)n2)nn1.
What is the InChIKey of 4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine?
The InChIKey is HEJTXWFECIJXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7S/c1-18-6-4-14-11(18)10-7-19(17-16-10)5-2-3-9-8-20-12(13)15-9/h4,6-8H,2-3,5H2,1H3,(H2,13,15).
What are the key properties of 4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine?
4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine has a molecular weight of 289.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 72867929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).