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

C19H20FN5OS — CID 126766319

IUPACN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc2n(n1)CC(NC(=O)c1cnc(Cc3ccc(F)cc3)s1)CC2
InChIInChI=1S/C19H20FN5OS/c1-2-16-23-17-8-7-14(11-25(17)24-16)22-19(26)15-10-21-18(27-15)9-12-3-5-13(20)6-4-12/h3-6,10,14H,2,7-9,11H2,1H3,(H,22,26)
InChIKeyMQENZNHSJCBCDI-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.77
Rot. Bonds5

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

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 126766319) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID126766319
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc2n(n1)CC(NC(=O)c1cnc(Cc3ccc(F)cc3)s1)CC2
InChIInChI=1S/C19H20FN5OS/c1-2-16-23-17-8-7-14(11-25(17)24-16)22-19(26)15-10-21-18(27-15)9-12-3-5-13(20)6-4-12/h3-6,10,14H,2,7-9,11H2,1H3,(H,22,26)
InChIKeyMQENZNHSJCBCDI-UHFFFAOYSA-N
XLogP2.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide (CID 126766319) is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide is CCc1nc2n(n1)CC(NC(=O)c1cnc(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)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MQENZNHSJCBCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5OS/c1-2-16-23-17-8-7-14(11-25(17)24-16)22-19(26)15-10-21-18(27-15)9-12-3-5-13(20)6-4-12/h3-6,10,14H,2,7-9,11H2,1H3,(H,22,26).
What are the key properties of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide?
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126766319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).