4-[3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-amine

C12H13N5S2 — CID 80661518

IUPAC4-[3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCc2nc(-c3cccs3)n[nH]2)cs1
InChIInChI=1S/C12H13N5S2/c13-12-14-8(7-19-12)3-1-5-10-15-11(17-16-10)9-4-2-6-18-9/h2,4,6-7H,1,3,5H2,(H2,13,14)(H,15,16,17)
InChIKeyBWPDJHFOZORPOL-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.75
Rot. Bonds5

About 4-[3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-amine

4-[3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-amine (PubChem CID 80661518) has the molecular formula C12H13N5S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-amine
PubChem CID80661518
Molecular FormulaC12H13N5S2
Molecular Weight291.40 g/mol
Exact Mass291.06
IUPAC Name4-[3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCc2nc(-c3cccs3)n[nH]2)cs1
InChIInChI=1S/C12H13N5S2/c13-12-14-8(7-19-12)3-1-5-10-15-11(17-16-10)9-4-2-6-18-9/h2,4,6-7H,1,3,5H2,(H2,13,14)(H,15,16,17)
InChIKeyBWPDJHFOZORPOL-UHFFFAOYSA-N
XLogP2.75
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-amine (CID 80661518) is 4-[3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-amine is Nc1nc(CCCc2nc(-c3cccs3)n[nH]2)cs1.
What is the InChIKey of 4-[3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-amine?
The InChIKey is BWPDJHFOZORPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S2/c13-12-14-8(7-19-12)3-1-5-10-15-11(17-16-10)9-4-2-6-18-9/h2,4,6-7H,1,3,5H2,(H2,13,14)(H,15,16,17).
What are the key properties of 4-[3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-amine?
4-[3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-amine has a molecular weight of 291.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 80661518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).