N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide

C17H23FN4OS — CID 165432470

IUPACN-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1(F)CCN(c2nc3cnccc3s2)CC1
InChIInChI=1S/C17H23FN4OS/c1-16(2,3)14(23)20-11-17(18)5-8-22(9-6-17)15-21-12-10-19-7-4-13(12)24-15/h4,7,10H,5-6,8-9,11H2,1-3H3,(H,20,23)
InChIKeyINKQPNIUAWTDHS-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.16
Rot. Bonds3

About N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide

N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 165432470) has the molecular formula C17H23FN4OS and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID165432470
Molecular FormulaC17H23FN4OS
Molecular Weight350.46 g/mol
Exact Mass350.16
IUPAC NameN-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1(F)CCN(c2nc3cnccc3s2)CC1
InChIInChI=1S/C17H23FN4OS/c1-16(2,3)14(23)20-11-17(18)5-8-22(9-6-17)15-21-12-10-19-7-4-13(12)24-15/h4,7,10H,5-6,8-9,11H2,1-3H3,(H,20,23)
InChIKeyINKQPNIUAWTDHS-UHFFFAOYSA-N
XLogP3.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432589
N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
CID 165433425
N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165433363
N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 172903534
N-methyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328562
N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165433214
cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435144
N-methyl-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-3-carboxamide
CID 166605852
2,2-dimethyl-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]propanamide
CID 36803011
2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154882869
2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172902834
2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 171702430

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (CID 165432470) is N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1(F)CCN(c2nc3cnccc3s2)CC1.
What is the InChIKey of N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is INKQPNIUAWTDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4OS/c1-16(2,3)14(23)20-11-17(18)5-8-22(9-6-17)15-21-12-10-19-7-4-13(12)24-15/h4,7,10H,5-6,8-9,11H2,1-3H3,(H,20,23).
What are the key properties of N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 350.46 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 165432470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).