4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide

C13H15FN4O2S — CID 146652733

IUPAC4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc2cnccc2s1)N1CCC(O)(CF)CC1
InChIInChI=1S/C13H15FN4O2S/c14-8-13(20)2-5-18(6-3-13)12(19)17-11-16-9-7-15-4-1-10(9)21-11/h1,4,7,20H,2-3,5-6,8H2,(H,16,17,19)
InChIKeyQWSWTZQDIZQPJG-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.02
Rot. Bonds2

About 4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide

4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide (PubChem CID 146652733) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide
PubChem CID146652733
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC Name4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc2cnccc2s1)N1CCC(O)(CF)CC1
InChIInChI=1S/C13H15FN4O2S/c14-8-13(20)2-5-18(6-3-13)12(19)17-11-16-9-7-15-4-1-10(9)21-11/h1,4,7,20H,2-3,5-6,8H2,(H,16,17,19)
InChIKeyQWSWTZQDIZQPJG-UHFFFAOYSA-N
XLogP2.02
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzene;4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide;methanol
CID 159691180
N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 46699373
N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799
4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 89361896
tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate
CID 15593546
N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide
CID 75418516
4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 89361893
N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432589
N-(1,3-benzothiazol-2-yl)morpholine-4-carboxamide;thiocyanic acid
CID 172824956
N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
CID 165432470
N-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 30269694
4-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-(5-fluoro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
CID 123599137

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide (CID 146652733) is 4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide is O=C(Nc1nc2cnccc2s1)N1CCC(O)(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide?
The InChIKey is QWSWTZQDIZQPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c14-8-13(20)2-5-18(6-3-13)12(19)17-11-16-9-7-15-4-1-10(9)21-11/h1,4,7,20H,2-3,5-6,8H2,(H,16,17,19).
What are the key properties of 4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide?
4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-4-hydroxy-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 146652733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).