2-fluoro-N-[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropane-1-carboxamide

C16H19FN4OS — CID 123618602

IUPAC2-fluoro-N-[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropane-1-carboxamide
SMILESCC1CCCN(c2nc3ccnc(NC(=O)C4CC4F)c3s2)C1
InChIInChI=1S/C16H19FN4OS/c1-9-3-2-6-21(8-9)16-19-12-4-5-18-14(13(12)23-16)20-15(22)10-7-11(10)17/h4-5,9-11H,2-3,6-8H2,1H3,(H,18,20,22)
InChIKeyNKXOXBSVIBVZEZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.22
Rot. Bonds3

About 2-fluoro-N-[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropane-1-carboxamide

2-fluoro-N-[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropane-1-carboxamide (PubChem CID 123618602) has the molecular formula C16H19FN4OS and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-fluoro-N-[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropane-1-carboxamide
PubChem CID123618602
Molecular FormulaC16H19FN4OS
Molecular Weight334.42 g/mol
Exact Mass334.13
IUPAC Name2-fluoro-N-[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropane-1-carboxamide
SMILESCC1CCCN(c2nc3ccnc(NC(=O)C4CC4F)c3s2)C1
InChIInChI=1S/C16H19FN4OS/c1-9-3-2-6-21(8-9)16-19-12-4-5-18-14(13(12)23-16)20-15(22)10-7-11(10)17/h4-5,9-11H,2-3,6-8H2,1H3,(H,18,20,22)
InChIKeyNKXOXBSVIBVZEZ-UHFFFAOYSA-N
XLogP3.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropane-1-carboxamide (CID 123618602) is 2-fluoro-N-[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropane-1-carboxamide is CC1CCCN(c2nc3ccnc(NC(=O)C4CC4F)c3s2)C1.
What is the InChIKey of 2-fluoro-N-[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is NKXOXBSVIBVZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4OS/c1-9-3-2-6-21(8-9)16-19-12-4-5-18-14(13(12)23-16)20-15(22)10-7-11(10)17/h4-5,9-11H,2-3,6-8H2,1H3,(H,18,20,22).
What are the key properties of 2-fluoro-N-[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 123618602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).