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

C12H14N4O2S2 — CID 16644303

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

2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 16644303) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
• PubChem CID: 16644303
• Molecular Formula: C12H14N4O2S2
• Molecular Weight: 310.40 g/mol
• Exact Mass: 310.06
• IUPAC Name: 2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(C)c(C(=O)Nc2nnc(C3CCCO3)s2)s1
• InChI: InChI=1S/C12H14N4O2S2/c1-6-9(19-7(2)13-6)10(17)14-12-16-15-11(20-12)8-4-3-5-18-8/h8H,3-5H2,1-2H3,(H,14,16,17)
• InChIKey: CMRFAJQHUCSXMW-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.40
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide (CID 16644303) is 2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2nnc(C3CCCO3)s2)s1.

What is the InChIKey of 2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide?

The InChIKey is CMRFAJQHUCSXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c1-6-9(19-7(2)13-6)10(17)14-12-16-15-11(20-12)8-4-3-5-18-8/h8H,3-5H2,1-2H3,(H,14,16,17).

What are the key properties of 2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide?

2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16644303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).