2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide

C12H16N4OS2 — CID 9124270

IUPAC2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2nnc(CC(C)C)s2)s1
InChIInChI=1S/C12H16N4OS2/c1-6(2)5-9-15-16-12(19-9)14-11(17)10-7(3)13-8(4)18-10/h6H,5H2,1-4H3,(H,14,16,17)
InChIKeyGPJJVHOIOJHXHD-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.06
Rot. Bonds4

About 2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 9124270) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID9124270
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2nnc(CC(C)C)s2)s1
InChIInChI=1S/C12H16N4OS2/c1-6(2)5-9-15-16-12(19-9)14-11(17)10-7(3)13-8(4)18-10/h6H,5H2,1-4H3,(H,14,16,17)
InChIKeyGPJJVHOIOJHXHD-UHFFFAOYSA-N
XLogP3.06
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide (CID 9124270) is 2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2nnc(CC(C)C)s2)s1.
What is the InChIKey of 2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is GPJJVHOIOJHXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-6(2)5-9-15-16-12(19-9)14-11(17)10-7(3)13-8(4)18-10/h6H,5H2,1-4H3,(H,14,16,17).
What are the key properties of 2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 296.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9124270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).