2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide

C9H12FN3OS — CID 126796066

IUPAC2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2CCCC(F)C2)n1
InChIInChI=1S/C9H12FN3OS/c10-6-2-1-3-13(4-6)9-12-7(5-15-9)8(11)14/h5-6H,1-4H2,(H2,11,14)
InChIKeyWVVNTRKBHDNPPO-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.18
Rot. Bonds2

About 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide

2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 126796066) has the molecular formula C9H12FN3OS and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID126796066
Molecular FormulaC9H12FN3OS
Molecular Weight229.28 g/mol
Exact Mass229.07
IUPAC Name2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2CCCC(F)C2)n1
InChIInChI=1S/C9H12FN3OS/c10-6-2-1-3-13(4-6)9-12-7(5-15-9)8(11)14/h5-6H,1-4H2,(H2,11,14)
InChIKeyWVVNTRKBHDNPPO-UHFFFAOYSA-N
XLogP1.18
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide (CID 126796066) is 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide is NC(=O)c1csc(N2CCCC(F)C2)n1.
What is the InChIKey of 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WVVNTRKBHDNPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3OS/c10-6-2-1-3-13(4-6)9-12-7(5-15-9)8(11)14/h5-6H,1-4H2,(H2,11,14).
What are the key properties of 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide?
2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126796066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).