N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C21H18N6OS — CID 25495722

IUPACN-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cccnc1-n1cncn1
InChIInChI=1S/C21H18N6OS/c28-20(17-6-3-9-23-19(17)27-13-22-12-24-27)26-21-25-18(11-29-21)16-8-7-14-4-1-2-5-15(14)10-16/h3,6-13H,1-2,4-5H2,(H,25,26,28)
InChIKeyYSQMPVMETZQQBG-UHFFFAOYSA-N
MW402.48 g/mol
LogP3.92
Rot. Bonds4

About N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 25495722) has the molecular formula C21H18N6OS and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID25495722
Molecular FormulaC21H18N6OS
Molecular Weight402.48 g/mol
Exact Mass402.13
IUPAC NameN-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cccnc1-n1cncn1
InChIInChI=1S/C21H18N6OS/c28-20(17-6-3-9-23-19(17)27-13-22-12-24-27)26-21-25-18(11-29-21)16-8-7-14-4-1-2-5-15(14)10-16/h3,6-13H,1-2,4-5H2,(H,25,26,28)
InChIKeyYSQMPVMETZQQBG-UHFFFAOYSA-N
XLogP3.92
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 31913964
2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4089252
6-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 30289372
2,4-difluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 7915677
7-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 3400328
1-methyl-6-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide
CID 8023683
2,6-dimethoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5074710
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4142849
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4677452
5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407284
2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119264633
5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 7915538

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 25495722) is N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cccnc1-n1cncn1.
What is the InChIKey of N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is YSQMPVMETZQQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6OS/c28-20(17-6-3-9-23-19(17)27-13-22-12-24-27)26-21-25-18(11-29-21)16-8-7-14-4-1-2-5-15(14)10-16/h3,6-13H,1-2,4-5H2,(H,25,26,28).
What are the key properties of N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 25495722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).