2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C13H15Cl2FN4OS — CID 129052163

IUPAC2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1ncccc1F)c1csc(C2CNC2)n1
InChIInChI=1S/C13H13FN4OS.2ClH/c14-9-2-1-3-16-10(9)6-17-12(19)11-7-20-13(18-11)8-4-15-5-8;;/h1-3,7-8,15H,4-6H2,(H,17,19);2*1H
InChIKeyOOOBDBJRMSOZBY-UHFFFAOYSA-N
MW365.26 g/mol
LogP2.14
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 129052163) has the molecular formula C13H15Cl2FN4OS and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID129052163
Molecular FormulaC13H15Cl2FN4OS
Molecular Weight365.26 g/mol
Exact Mass364.03
IUPAC Name2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1ncccc1F)c1csc(C2CNC2)n1
InChIInChI=1S/C13H13FN4OS.2ClH/c14-9-2-1-3-16-10(9)6-17-12(19)11-7-20-13(18-11)8-4-15-5-8;;/h1-3,7-8,15H,4-6H2,(H,17,19);2*1H
InChIKeyOOOBDBJRMSOZBY-UHFFFAOYSA-N
XLogP2.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 129052425
2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 145298036
N-[(3-fluoro-2-pyridinyl)methyl]-2-[1-[3-(2-nitroanilino)-3-oxopropyl]pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 129067037
N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 3846497
2-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride
CID 140928409
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3854076
2-[2-[[2-(1H-benzimidazol-2-yl)acetyl]amino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 129052446
2-[2-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 129052434
2-[2-[[2-(1H-benzimidazol-2-yl)-2,2-difluoroethyl]amino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 129067195
2-[2-[[2-(3a,4-dihydro-1H-benzimidazol-2-yl)-2-methylpropyl]amino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 163460276
N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3791349
2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 135356148

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 129052163) is 2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1ncccc1F)c1csc(C2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is OOOBDBJRMSOZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4OS.2ClH/c14-9-2-1-3-16-10(9)6-17-12(19)11-7-20-13(18-11)8-4-15-5-8;;/h1-3,7-8,15H,4-6H2,(H,17,19);2*1H.
What are the key properties of 2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 365.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 129052163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).