7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide

C19H17FN4OS — CID 2987325

IUPAC7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide
SMILESNc1c(C(=O)Nc2cccc(F)c2)sc2nc3c(cc12)C1CCN3CC1
InChIInChI=1S/C19H17FN4OS/c20-11-2-1-3-12(8-11)22-18(25)16-15(21)14-9-13-10-4-6-24(7-5-10)17(13)23-19(14)26-16/h1-3,8-10H,4-7,21H2,(H,22,25)
InChIKeyKRDZYIGOWBHVCC-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.97
Rot. Bonds2

About 7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide

7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide (PubChem CID 2987325) has the molecular formula C19H17FN4OS and a molecular weight of 368.44 g/mol. Its IUPAC name is 7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide
PubChem CID2987325
Molecular FormulaC19H17FN4OS
Molecular Weight368.44 g/mol
Exact Mass368.11
IUPAC Name7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide
SMILESNc1c(C(=O)Nc2cccc(F)c2)sc2nc3c(cc12)C1CCN3CC1
InChIInChI=1S/C19H17FN4OS/c20-11-2-1-3-12(8-11)22-18(25)16-15(21)14-9-13-10-4-6-24(7-5-10)17(13)23-19(14)26-16/h1-3,8-10H,4-7,21H2,(H,22,25)
InChIKeyKRDZYIGOWBHVCC-UHFFFAOYSA-N
XLogP3.97
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-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 7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide?
The IUPAC name of 7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide (CID 2987325) is 7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide.
What is the SMILES notation for 7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide?
The canonical SMILES for 7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide is Nc1c(C(=O)Nc2cccc(F)c2)sc2nc3c(cc12)C1CCN3CC1.
What is the InChIKey of 7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide?
The InChIKey is KRDZYIGOWBHVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4OS/c20-11-2-1-3-12(8-11)22-18(25)16-15(21)14-9-13-10-4-6-24(7-5-10)17(13)23-19(14)26-16/h1-3,8-10H,4-7,21H2,(H,22,25).
What are the key properties of 7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide?
7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide is sourced from PubChem (CID 2987325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).