N-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide

C19H19FN4OS — CID 11957228

IUPACN-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1
InChIInChI=1S/C19H19FN4OS/c20-13-2-1-3-14-15(13)16-17(26-14)18(22-10-21-16)24-8-6-11(7-9-24)19(25)23-12-4-5-12/h1-3,10-12H,4-9H2,(H,23,25)
InChIKeyITJVNMCQBPWZGS-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.48
Rot. Bonds3

About N-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 11957228) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is N-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID11957228
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC NameN-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1
InChIInChI=1S/C19H19FN4OS/c20-13-2-1-3-14-15(13)16-17(26-14)18(22-10-21-16)24-8-6-11(7-9-24)19(25)23-12-4-5-12/h1-3,10-12H,4-9H2,(H,23,25)
InChIKeyITJVNMCQBPWZGS-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-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-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 11957228) is N-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1.
What is the InChIKey of N-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is ITJVNMCQBPWZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c20-13-2-1-3-14-15(13)16-17(26-14)18(22-10-21-16)24-8-6-11(7-9-24)19(25)23-12-4-5-12/h1-3,10-12H,4-9H2,(H,23,25).
What are the key properties of N-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 11957228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).