N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide

C16H13N3O3S — CID 45283580

IUPACN-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(C)c2sc(NC(=O)c3ccc4c(c3)OCO4)nc2n1
InChIInChI=1S/C16H13N3O3S/c1-8-5-9(2)17-14-13(8)23-16(18-14)19-15(20)10-3-4-11-12(6-10)22-7-21-11/h3-6H,7H2,1-2H3,(H,17,18,19,20)
InChIKeyIXJJPAGKMKMNIP-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.29
Rot. Bonds2

About N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide

N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 45283580) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID45283580
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC NameN-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(C)c2sc(NC(=O)c3ccc4c(c3)OCO4)nc2n1
InChIInChI=1S/C16H13N3O3S/c1-8-5-9(2)17-14-13(8)23-16(18-14)19-15(20)10-3-4-11-12(6-10)22-7-21-11/h3-6H,7H2,1-2H3,(H,17,18,19,20)
InChIKeyIXJJPAGKMKMNIP-UHFFFAOYSA-N
XLogP3.29
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 847128
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 40959861
N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide
CID 40959415
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 40959608
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1292865
2-(1,3-benzodioxole-5-carbonylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947788
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 29199692
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 71778697
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 735968
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 64556664
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 2370782
N-(4-amino-2,6-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 50880688

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide (CID 45283580) is N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide is Cc1cc(C)c2sc(NC(=O)c3ccc4c(c3)OCO4)nc2n1.
What is the InChIKey of N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is IXJJPAGKMKMNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-8-5-9(2)17-14-13(8)23-16(18-14)19-15(20)10-3-4-11-12(6-10)22-7-21-11/h3-6H,7H2,1-2H3,(H,17,18,19,20).
What are the key properties of N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide?
N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 45283580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).