4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine

C14H10N6S2 — CID 163214641

IUPAC4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESc1csc(-c2csc(Nc3ccc(-n4cncn4)cc3)n2)n1
InChIInChI=1S/C14H10N6S2/c1-3-11(20-9-15-8-17-20)4-2-10(1)18-14-19-12(7-22-14)13-16-5-6-21-13/h1-9H,(H,18,19)
InChIKeyOSRJKKDFNPVRPE-UHFFFAOYSA-N
MW326.41 g/mol
LogP3.59
Rot. Bonds4

About 4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine

4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 163214641) has the molecular formula C14H10N6S2 and a molecular weight of 326.41 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID163214641
Molecular FormulaC14H10N6S2
Molecular Weight326.41 g/mol
Exact Mass326.04
IUPAC Name4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESc1csc(-c2csc(Nc3ccc(-n4cncn4)cc3)n2)n1
InChIInChI=1S/C14H10N6S2/c1-3-11(20-9-15-8-17-20)4-2-10(1)18-14-19-12(7-22-14)13-16-5-6-21-13/h1-9H,(H,18,19)
InChIKeyOSRJKKDFNPVRPE-UHFFFAOYSA-N
XLogP3.59
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine (CID 163214641) is 4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine is c1csc(-c2csc(Nc3ccc(-n4cncn4)cc3)n2)n1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is OSRJKKDFNPVRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6S2/c1-3-11(20-9-15-8-17-20)4-2-10(1)18-14-19-12(7-22-14)13-16-5-6-21-13/h1-9H,(H,18,19).
What are the key properties of 4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine?
4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 326.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 163214641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).