N-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide

C16H14N2O2S2 — CID 46925881

IUPACN-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCOC2
InChIInChI=1S/C16H14N2O2S2/c1-9(19)17-15-14(10-6-7-20-8-13(10)22-15)16-18-11-4-2-3-5-12(11)21-16/h2-5H,6-8H2,1H3,(H,17,19)
InChIKeyIMPABEWSEMMGHP-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.06
Rot. Bonds2

About N-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide

N-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide (PubChem CID 46925881) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide
PubChem CID46925881
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCOC2
InChIInChI=1S/C16H14N2O2S2/c1-9(19)17-15-14(10-6-7-20-8-13(10)22-15)16-18-11-4-2-3-5-12(11)21-16/h2-5H,6-8H2,1H3,(H,17,19)
InChIKeyIMPABEWSEMMGHP-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,4-dimethylbenzamide
CID 4306824
N-[3-(1,3-benzothiazol-2-yl)-6-(cyclohexylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-6-(oxan-4-ylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;tert-butyl 4-[[2-acetamido-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-6-yl]amino]piperidine-1-carboxylate
CID 158772937
methyl 3-(1,3-benzothiazol-2-yl)-2-(2,2-dimethylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993828
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-ethoxybenzamide
CID 3575425
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylsulfanylbenzamide
CID 41028320
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 41139425
N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methylbenzamide
CID 3352731
methyl 4-[[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoate
CID 3259528
(Z)-N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylprop-2-enamide
CID 27421574
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methylsulfanylbenzamide
CID 43980960
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide
CID 57387552
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-ethylsulfonylbenzamide
CID 44989692

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide (CID 46925881) is N-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide is CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCOC2.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide?
The InChIKey is IMPABEWSEMMGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-9(19)17-15-14(10-6-7-20-8-13(10)22-15)16-18-11-4-2-3-5-12(11)21-16/h2-5H,6-8H2,1H3,(H,17,19).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide?
N-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide is sourced from PubChem (CID 46925881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).