3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C15H17FN4OS — CID 154737418

IUPAC3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)c1ccncc1F
InChIInChI=1S/C15H17FN4OS/c16-13-8-17-5-4-12(13)14(21)19-15-18-11(10-22-15)9-20-6-2-1-3-7-20/h4-5,8,10H,1-3,6-7,9H2,(H,18,19,21)
InChIKeyGALPJCTXYKHOQK-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.92
Rot. Bonds4

About 3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 154737418) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID154737418
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC Name3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)c1ccncc1F
InChIInChI=1S/C15H17FN4OS/c16-13-8-17-5-4-12(13)14(21)19-15-18-11(10-22-15)9-20-6-2-1-3-7-20/h4-5,8,10H,1-3,6-7,9H2,(H,18,19,21)
InChIKeyGALPJCTXYKHOQK-UHFFFAOYSA-N
XLogP2.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 134051932
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 36847091
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 46536572
2-ethoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 30182986
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
5-bromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 78775861
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 30182915
2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 30184342
2-chloro-5-nitro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 78775864

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 154737418) is 3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is O=C(Nc1nc(CN2CCCCC2)cs1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is GALPJCTXYKHOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS/c16-13-8-17-5-4-12(13)14(21)19-15-18-11(10-22-15)9-20-6-2-1-3-7-20/h4-5,8,10H,1-3,6-7,9H2,(H,18,19,21).
What are the key properties of 3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 154737418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).