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

C16H18FN5OS — CID 144865591

IUPAC2-fluoro-N-(2-piperidin-1-yl-[1,3]thiazolo[5,4-c]pyridin-4-yl)cyclopropane-1-carboxamide;formonitrile
SMILESC#N.O=C(Nc1nccc2nc(N3CCCCC3)sc12)C1CC1F
InChIInChI=1S/C15H17FN4OS.CHN/c16-10-8-9(10)14(21)19-13-12-11(4-5-17-13)18-15(22-12)20-6-2-1-3-7-20;1-2/h4-5,9-10H,1-3,6-8H2,(H,17,19,21);1H
InChIKeyYPAQPOMMEUAFLH-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.12
Rot. Bonds3

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

2-fluoro-N-(2-piperidin-1-yl-[1,3]thiazolo[5,4-c]pyridin-4-yl)cyclopropane-1-carboxamide;formonitrile (PubChem CID 144865591) has the molecular formula C16H18FN5OS and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-fluoro-N-(2-piperidin-1-yl-[1,3]thiazolo[5,4-c]pyridin-4-yl)cyclopropane-1-carboxamide;formonitrile.

Molecular Properties

Compound Name2-fluoro-N-(2-piperidin-1-yl-[1,3]thiazolo[5,4-c]pyridin-4-yl)cyclopropane-1-carboxamide;formonitrile
PubChem CID144865591
Molecular FormulaC16H18FN5OS
Molecular Weight347.42 g/mol
Exact Mass347.12
IUPAC Name2-fluoro-N-(2-piperidin-1-yl-[1,3]thiazolo[5,4-c]pyridin-4-yl)cyclopropane-1-carboxamide;formonitrile
SMILESC#N.O=C(Nc1nccc2nc(N3CCCCC3)sc12)C1CC1F
InChIInChI=1S/C15H17FN4OS.CHN/c16-10-8-9(10)14(21)19-13-12-11(4-5-17-13)18-15(22-12)20-6-2-1-3-7-20;1-2/h4-5,9-10H,1-3,6-8H2,(H,17,19,21);1H
InChIKeyYPAQPOMMEUAFLH-UHFFFAOYSA-N
XLogP3.12
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-piperidin-1-yl-[1,3]thiazolo[5,4-c]pyridin-4-yl)cyclopropane-1-carboxamide;formonitrile?
The IUPAC name of 2-fluoro-N-(2-piperidin-1-yl-[1,3]thiazolo[5,4-c]pyridin-4-yl)cyclopropane-1-carboxamide;formonitrile (CID 144865591) is 2-fluoro-N-(2-piperidin-1-yl-[1,3]thiazolo[5,4-c]pyridin-4-yl)cyclopropane-1-carboxamide;formonitrile.
What is the SMILES notation for 2-fluoro-N-(2-piperidin-1-yl-[1,3]thiazolo[5,4-c]pyridin-4-yl)cyclopropane-1-carboxamide;formonitrile?
The canonical SMILES for 2-fluoro-N-(2-piperidin-1-yl-[1,3]thiazolo[5,4-c]pyridin-4-yl)cyclopropane-1-carboxamide;formonitrile is C#N.O=C(Nc1nccc2nc(N3CCCCC3)sc12)C1CC1F.
What is the InChIKey of 2-fluoro-N-(2-piperidin-1-yl-[1,3]thiazolo[5,4-c]pyridin-4-yl)cyclopropane-1-carboxamide;formonitrile?
The InChIKey is YPAQPOMMEUAFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS.CHN/c16-10-8-9(10)14(21)19-13-12-11(4-5-17-13)18-15(22-12)20-6-2-1-3-7-20;1-2/h4-5,9-10H,1-3,6-8H2,(H,17,19,21);1H.
What are the key properties of 2-fluoro-N-(2-piperidin-1-yl-[1,3]thiazolo[5,4-c]pyridin-4-yl)cyclopropane-1-carboxamide;formonitrile?
2-fluoro-N-(2-piperidin-1-yl-[1,3]thiazolo[5,4-c]pyridin-4-yl)cyclopropane-1-carboxamide;formonitrile has a molecular weight of 347.42 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-piperidin-1-yl-[1,3]thiazolo[5,4-c]pyridin-4-yl)cyclopropane-1-carboxamide;formonitrile is sourced from PubChem (CID 144865591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).