N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine

C17H19FN6S — CID 133457740

IUPACN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nc2n(n1)CC(Nc1nnc(Cc3ccc(F)cc3)s1)CC2
InChIInChI=1S/C17H19FN6S/c1-2-14-20-15-8-7-13(10-24(15)23-14)19-17-22-21-16(25-17)9-11-3-5-12(18)6-4-11/h3-6,13H,2,7-10H2,1H3,(H,19,22)
InChIKeyPTPVBAQFQUEXOE-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.85
Rot. Bonds5

About N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133457740) has the molecular formula C17H19FN6S and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID133457740
Molecular FormulaC17H19FN6S
Molecular Weight358.45 g/mol
Exact Mass358.14
IUPAC NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nc2n(n1)CC(Nc1nnc(Cc3ccc(F)cc3)s1)CC2
InChIInChI=1S/C17H19FN6S/c1-2-14-20-15-8-7-13(10-24(15)23-14)19-17-22-21-16(25-17)9-11-3-5-12(18)6-4-11/h3-6,13H,2,7-10H2,1H3,(H,19,22)
InChIKeyPTPVBAQFQUEXOE-UHFFFAOYSA-N
XLogP2.85
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 133457740) is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is CCc1nc2n(n1)CC(Nc1nnc(Cc3ccc(F)cc3)s1)CC2.
What is the InChIKey of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PTPVBAQFQUEXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6S/c1-2-14-20-15-8-7-13(10-24(15)23-14)19-17-22-21-16(25-17)9-11-3-5-12(18)6-4-11/h3-6,13H,2,7-10H2,1H3,(H,19,22).
What are the key properties of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 358.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133457740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).