5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine

C14H14N6S — CID 165426721

IUPAC5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(N2Cc3[nH]cnc3C(c3ccccc3)C2)s1
InChIInChI=1S/C14H14N6S/c15-13-18-19-14(21-13)20-6-10(9-4-2-1-3-5-9)12-11(7-20)16-8-17-12/h1-5,8,10H,6-7H2,(H2,15,18)(H,16,17)
InChIKeyUVMWRBXJTBSTCH-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.00
Rot. Bonds2

About 5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine

5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 165426721) has the molecular formula C14H14N6S and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID165426721
Molecular FormulaC14H14N6S
Molecular Weight298.38 g/mol
Exact Mass298.10
IUPAC Name5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(N2Cc3[nH]cnc3C(c3ccccc3)C2)s1
InChIInChI=1S/C14H14N6S/c15-13-18-19-14(21-13)20-6-10(9-4-2-1-3-5-9)12-11(7-20)16-8-17-12/h1-5,8,10H,6-7H2,(H2,15,18)(H,16,17)
InChIKeyUVMWRBXJTBSTCH-UHFFFAOYSA-N
XLogP2.00
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine (CID 165426721) is 5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine is Nc1nnc(N2Cc3[nH]cnc3C(c3ccccc3)C2)s1.
What is the InChIKey of 5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UVMWRBXJTBSTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6S/c15-13-18-19-14(21-13)20-6-10(9-4-2-1-3-5-9)12-11(7-20)16-8-17-12/h1-5,8,10H,6-7H2,(H2,15,18)(H,16,17).
What are the key properties of 5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine?
5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 298.38 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 165426721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).