N-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,4'-oxane]-2-ylthieno[3,2-c]pyridine-7-carboxamide

C19H19N3O2S2 — CID 167774586

IUPACN-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,4'-oxane]-2-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESO=C(Nc1nc2c(s1)CC1(CCOCC1)CC2)c1cncc2ccsc12
InChIInChI=1S/C19H19N3O2S2/c23-17(13-11-20-10-12-2-8-25-16(12)13)22-18-21-14-1-3-19(9-15(14)26-18)4-6-24-7-5-19/h2,8,10-11H,1,3-7,9H2,(H,21,22,23)
InChIKeyXNNITZLIOBYNDZ-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.29
Rot. Bonds2

About N-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,4'-oxane]-2-ylthieno[3,2-c]pyridine-7-carboxamide

N-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,4'-oxane]-2-ylthieno[3,2-c]pyridine-7-carboxamide (PubChem CID 167774586) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,4'-oxane]-2-ylthieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,4'-oxane]-2-ylthieno[3,2-c]pyridine-7-carboxamide
PubChem CID167774586
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC NameN-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,4'-oxane]-2-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESO=C(Nc1nc2c(s1)CC1(CCOCC1)CC2)c1cncc2ccsc12
InChIInChI=1S/C19H19N3O2S2/c23-17(13-11-20-10-12-2-8-25-16(12)13)22-18-21-14-1-3-19(9-15(14)26-18)4-6-24-7-5-19/h2,8,10-11H,1,3-7,9H2,(H,21,22,23)
InChIKeyXNNITZLIOBYNDZ-UHFFFAOYSA-N
XLogP4.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methylsulfonyl-N-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclohexane]-2-ylpyridine-2-carboxamide
CID 166325276
N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
CID 144882024
2-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-carboxamide
CID 106686629
3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-2-carboxamide
CID 43593340
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxane-4-carboxamide
CID 115439503
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3,4-dimethylbenzamide
CID 90543562
4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide
CID 103384975
4-(aminomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)benzamide
CID 119317040
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide
CID 102922199
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(pyridin-3-ylmethyl)urea
CID 136526479
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 71794708
2,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593378

Frequently Asked Questions

What is the IUPAC name of N-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,4'-oxane]-2-ylthieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of N-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,4'-oxane]-2-ylthieno[3,2-c]pyridine-7-carboxamide (CID 167774586) is N-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,4'-oxane]-2-ylthieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for N-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,4'-oxane]-2-ylthieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for N-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,4'-oxane]-2-ylthieno[3,2-c]pyridine-7-carboxamide is O=C(Nc1nc2c(s1)CC1(CCOCC1)CC2)c1cncc2ccsc12.
What is the InChIKey of N-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,4'-oxane]-2-ylthieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is XNNITZLIOBYNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c23-17(13-11-20-10-12-2-8-25-16(12)13)22-18-21-14-1-3-19(9-15(14)26-18)4-6-24-7-5-19/h2,8,10-11H,1,3-7,9H2,(H,21,22,23).
What are the key properties of N-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,4'-oxane]-2-ylthieno[3,2-c]pyridine-7-carboxamide?
N-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,4'-oxane]-2-ylthieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,4'-oxane]-2-ylthieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 167774586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).