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

C12H14N4OS2 — CID 92599037

IUPAC4-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1nc2c(s1)C[C@@H](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)/t6-/m0/s1
InChIKeyQSFQEEZNIHJVRQ-LURJTMIESA-N
MW294.41 g/mol
LogP2.68
Rot. Bonds2

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

4-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide (PubChem CID 92599037) has the molecular formula C12H14N4OS2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 4-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide
PubChem CID92599037
Molecular FormulaC12H14N4OS2
Molecular Weight294.41 g/mol
Exact Mass294.06
IUPAC Name4-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1nc2c(s1)C[C@@H](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)/t6-/m0/s1
InChIKeyQSFQEEZNIHJVRQ-LURJTMIESA-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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide (CID 92599037) is 4-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2.
What is the InChIKey of 4-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide?
The InChIKey is QSFQEEZNIHJVRQ-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of 4-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide?
4-methyl-N-[(6S)-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-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 92599037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).