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

C20H23N5OS — CID 110260331

IUPACN-[4-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCc1nnc2n1CC(c1ccc(NC(=O)c3sc(C)nc3C)cc1)CC2
InChIInChI=1S/C20H23N5OS/c1-4-17-23-24-18-10-7-15(11-25(17)18)14-5-8-16(9-6-14)22-20(26)19-12(2)21-13(3)27-19/h5-6,8-9,15H,4,7,10-11H2,1-3H3,(H,22,26)
InChIKeyPSJFLVVNCGIYOY-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.90
Rot. Bonds4

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

N-[4-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 110260331) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-[4-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID110260331
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-[4-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCc1nnc2n1CC(c1ccc(NC(=O)c3sc(C)nc3C)cc1)CC2
InChIInChI=1S/C20H23N5OS/c1-4-17-23-24-18-10-7-15(11-25(17)18)14-5-8-16(9-6-14)22-20(26)19-12(2)21-13(3)27-19/h5-6,8-9,15H,4,7,10-11H2,1-3H3,(H,22,26)
InChIKeyPSJFLVVNCGIYOY-UHFFFAOYSA-N
XLogP3.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 110260331) is N-[4-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is CCc1nnc2n1CC(c1ccc(NC(=O)c3sc(C)nc3C)cc1)CC2.
What is the InChIKey of N-[4-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is PSJFLVVNCGIYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-4-17-23-24-18-10-7-15(11-25(17)18)14-5-8-16(9-6-14)22-20(26)19-12(2)21-13(3)27-19/h5-6,8-9,15H,4,7,10-11H2,1-3H3,(H,22,26).
What are the key properties of N-[4-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[4-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110260331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).