4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide

C12H14N4O2S — CID 110226476

IUPAC4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)Nc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C12H14N4O2S/c1-6-3-4-8-9(5-6)19-12(13-8)14-11(17)10-7(2)15-18-16-10/h6H,3-5H2,1-2H3,(H,13,14,17)
InChIKeySMKZSEZZAXARJS-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.21
Rot. Bonds2

About 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 110226476) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID110226476
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)Nc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C12H14N4O2S/c1-6-3-4-8-9(5-6)19-12(13-8)14-11(17)10-7(2)15-18-16-10/h6H,3-5H2,1-2H3,(H,13,14,17)
InChIKeySMKZSEZZAXARJS-UHFFFAOYSA-N
XLogP2.21
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 16953633
4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide
CID 110226475
4-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide
CID 92599037
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 976760
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
4-bromo-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 7064945
4-tert-butyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 739433
4-fluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3621249
2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
CID 25284514
2,5-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 4280247
5-bromo-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 42280055
5-bromo-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 40820052

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide (CID 110226476) is 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)Nc1nc2c(s1)CC(C)CC2.
What is the InChIKey of 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is SMKZSEZZAXARJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-6-3-4-8-9(5-6)19-12(13-8)14-11(17)10-7(2)15-18-16-10/h6H,3-5H2,1-2H3,(H,13,14,17).
What are the key properties of 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 110226476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).