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

C16H19FN4OS — CID 165432589

IUPACN-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(F)CCN(c2nc3cnccc3s2)CC1)C1CC1
InChIInChI=1S/C16H19FN4OS/c17-16(10-19-14(22)11-1-2-11)4-7-21(8-5-16)15-20-12-9-18-6-3-13(12)23-15/h3,6,9,11H,1-2,4-5,7-8,10H2,(H,19,22)
InChIKeyMAVJXSDESAWGCI-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.53
Rot. Bonds4

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

N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 165432589) has the molecular formula C16H19FN4OS and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID165432589
Molecular FormulaC16H19FN4OS
Molecular Weight334.42 g/mol
Exact Mass334.13
IUPAC NameN-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(F)CCN(c2nc3cnccc3s2)CC1)C1CC1
InChIInChI=1S/C16H19FN4OS/c17-16(10-19-14(22)11-1-2-11)4-7-21(8-5-16)15-20-12-9-18-6-3-13(12)23-15/h3,6,9,11H,1-2,4-5,7-8,10H2,(H,19,22)
InChIKeyMAVJXSDESAWGCI-UHFFFAOYSA-N
XLogP2.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.53
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]-2,2-dimethylpropanamide
CID 165432470
N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165433363
N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165433214
N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide
CID 165431964
cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435144
N-methyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328562
N-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432028
N-methyl-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-3-carboxamide
CID 166605852
N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 172903534
N-[[1-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165433346
N-[[4-fluoro-1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432135
1-(1,3-benzothiazol-2-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]piperidine-4-carboxamide
CID 126770983

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]cyclopropanecarboxamide?
The IUPAC name of N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide (CID 165432589) is N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide is O=C(NCC1(F)CCN(c2nc3cnccc3s2)CC1)C1CC1.
What is the InChIKey of N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is MAVJXSDESAWGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4OS/c17-16(10-19-14(22)11-1-2-11)4-7-21(8-5-16)15-20-12-9-18-6-3-13(12)23-15/h3,6,9,11H,1-2,4-5,7-8,10H2,(H,19,22).
What are the key properties of N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.53, 4 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]cyclopropanecarboxamide is sourced from PubChem (CID 165432589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).