N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide

C20H25N3O2S2 — CID 162635032

IUPACN-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
SMILESCc1nc2c(s1)CCCC2NC(=O)c1cc2c(s1)CCOC21CCNCC1
InChIInChI=1S/C20H25N3O2S2/c1-12-22-18-14(3-2-4-16(18)26-12)23-19(24)17-11-13-15(27-17)5-10-25-20(13)6-8-21-9-7-20/h11,14,21H,2-10H2,1H3,(H,23,24)
InChIKeyFIUKMRQYEWXBDF-UHFFFAOYSA-N
MW403.57 g/mol
LogP3.47
Rot. Bonds2

About N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide

N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide (PubChem CID 162635032) has the molecular formula C20H25N3O2S2 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
PubChem CID162635032
Molecular FormulaC20H25N3O2S2
Molecular Weight403.57 g/mol
Exact Mass403.14
IUPAC NameN-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
SMILESCc1nc2c(s1)CCCC2NC(=O)c1cc2c(s1)CCOC21CCNCC1
InChIInChI=1S/C20H25N3O2S2/c1-12-22-18-14(3-2-4-16(18)26-12)23-19(24)17-11-13-15(27-17)5-10-25-20(13)6-8-21-9-7-20/h11,14,21H,2-10H2,1H3,(H,23,24)
InChIKeyFIUKMRQYEWXBDF-UHFFFAOYSA-N
XLogP3.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide with MolForge

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Related Compounds

methyl (2S,4S)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carbonylamino)pyrrolidine-2-carboxylate
CID 163319050
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
CID 163314995
N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide
CID 91838021
[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone
CID 163311432
N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide;hydrochloride
CID 154922398
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
CID 162637870
N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide;hydrochloride
CID 154921145
(2-phenylpyrrolidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone
CID 163308963
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
CID 162638620
N-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
CID 162626832
(4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone
CID 163316752
N-[(1S,3R)-3-hydroxycyclohexyl]-1'-(2-hydroxyethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
CID 170512571

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide?
The IUPAC name of N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide (CID 162635032) is N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide.
What is the SMILES notation for N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide?
The canonical SMILES for N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide is Cc1nc2c(s1)CCCC2NC(=O)c1cc2c(s1)CCOC21CCNCC1.
What is the InChIKey of N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide?
The InChIKey is FIUKMRQYEWXBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S2/c1-12-22-18-14(3-2-4-16(18)26-12)23-19(24)17-11-13-15(27-17)5-10-25-20(13)6-8-21-9-7-20/h11,14,21H,2-10H2,1H3,(H,23,24).
What are the key properties of N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide?
N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 162635032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).