N-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C14H10N2OS — CID 141292946

IUPACN-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCc1cnc(NC(=O)C2=C3C=C4CC4=C3C=C2)s1
InChIInChI=1S/C14H10N2OS/c1-7-6-15-14(18-7)16-13(17)10-3-2-9-11-4-8(11)5-12(9)10/h2-3,5-6H,4H2,1H3,(H,15,16,17)
InChIKeyIALLGWQQZJGKGQ-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.90
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141292946) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141292946
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCc1cnc(NC(=O)C2=C3C=C4CC4=C3C=C2)s1
InChIInChI=1S/C14H10N2OS/c1-7-6-15-14(18-7)16-13(17)10-3-2-9-11-4-8(11)5-12(9)10/h2-3,5-6H,4H2,1H3,(H,15,16,17)
InChIKeyIALLGWQQZJGKGQ-UHFFFAOYSA-N
XLogP2.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-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-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141292946) is N-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is Cc1cnc(NC(=O)C2=C3C=C4CC4=C3C=C2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is IALLGWQQZJGKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c1-7-6-15-14(18-7)16-13(17)10-3-2-9-11-4-8(11)5-12(9)10/h2-3,5-6H,4H2,1H3,(H,15,16,17).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141292946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).