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

C12H14N4OS2 — CID 110226475

IUPAC4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C12H14N4OS2/c1-6-3-4-8-9(5-6)18-12(13-8)14-11(17)10-7(2)15-16-19-10/h6H,3-5H2,1-2H3,(H,13,14,17)
InChIKeyQSFQEEZNIHJVRQ-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.68
Rot. Bonds2

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

4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide (PubChem CID 110226475) has the molecular formula C12H14N4OS2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide
PubChem CID110226475
Molecular FormulaC12H14N4OS2
Molecular Weight294.41 g/mol
Exact Mass294.06
IUPAC Name4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C12H14N4OS2/c1-6-3-4-8-9(5-6)18-12(13-8)14-11(17)10-7(2)15-16-19-10/h6H,3-5H2,1-2H3,(H,13,14,17)
InChIKeyQSFQEEZNIHJVRQ-UHFFFAOYSA-N
XLogP2.68
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide
CID 92599037
4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 110226476
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 16953633
3,5-dimethoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 959053
4-tert-butyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 739433
4-bromo-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 7064945
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 976760
4-fluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3621249
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]thiophene-2-carboxamide
CID 40820052
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-oxidopyridin-1-ium-2-carboxamide
CID 94115507

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide (CID 110226475) is 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide is Cc1nnsc1C(=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)thiadiazole-5-carboxamide?
The InChIKey is QSFQEEZNIHJVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2/c1-6-3-4-8-9(5-6)18-12(13-8)14-11(17)10-7(2)15-16-19-10/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)thiadiazole-5-carboxamide?
4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide has a molecular weight of 294.41 g/mol, XLogP of 2.68, 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)thiadiazole-5-carboxamide is sourced from PubChem (CID 110226475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).