N-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide

C20H25N3O2S2 — CID 169416129

IUPACN-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
SMILESCc1nc(N2CCC3(CC2)OCCc2cc(C(=O)NC4CC4)sc23)sc1C
InChIInChI=1S/C20H25N3O2S2/c1-12-13(2)26-19(21-12)23-8-6-20(7-9-23)17-14(5-10-25-20)11-16(27-17)18(24)22-15-3-4-15/h11,15H,3-10H2,1-2H3,(H,22,24)
InChIKeyHJTXEXPFNBWZKT-UHFFFAOYSA-N
MW403.57 g/mol
LogP3.78
Rot. Bonds3

About N-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide

N-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide (PubChem CID 169416129) has the molecular formula C20H25N3O2S2 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
PubChem CID169416129
Molecular FormulaC20H25N3O2S2
Molecular Weight403.57 g/mol
Exact Mass403.14
IUPAC NameN-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
SMILESCc1nc(N2CCC3(CC2)OCCc2cc(C(=O)NC4CC4)sc23)sc1C
InChIInChI=1S/C20H25N3O2S2/c1-12-13(2)26-19(21-12)23-8-6-20(7-9-23)17-14(5-10-25-20)11-16(27-17)18(24)22-15-3-4-15/h11,15H,3-10H2,1-2H3,(H,22,24)
InChIKeyHJTXEXPFNBWZKT-UHFFFAOYSA-N
XLogP3.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide with MolForge

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Related Compounds

1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 170506403
1'-(2-methylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164692421
N-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 163306765
N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 169418054
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone
CID 169410674
N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162633332
morpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone
CID 169418134
1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 169417775
1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride
CID 154922676
1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 170506139
1'-[(2R)-2-cyclohexyl-2-hydroxyacetyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164696774
N-(2-morpholin-4-ylethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162634817

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The IUPAC name of N-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide (CID 169416129) is N-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide is Cc1nc(N2CCC3(CC2)OCCc2cc(C(=O)NC4CC4)sc23)sc1C.
What is the InChIKey of N-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The InChIKey is HJTXEXPFNBWZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S2/c1-12-13(2)26-19(21-12)23-8-6-20(7-9-23)17-14(5-10-25-20)11-16(27-17)18(24)22-15-3-4-15/h11,15H,3-10H2,1-2H3,(H,22,24).
What are the key properties of N-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
N-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 169416129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).