7a-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C11H14N4O2S2 — CID 16551067

IUPAC7a-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1nnc(NC(=O)C2CSC3(C)CCC(=O)N23)s1
InChIInChI=1S/C11H14N4O2S2/c1-6-13-14-10(19-6)12-9(17)7-5-18-11(2)4-3-8(16)15(7)11/h7H,3-5H2,1-2H3,(H,12,14,17)
InChIKeyHZRJQKJINUMXIK-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.24
Rot. Bonds2

About 7a-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

7a-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 16551067) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 7a-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID16551067
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name7a-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1nnc(NC(=O)C2CSC3(C)CCC(=O)N23)s1
InChIInChI=1S/C11H14N4O2S2/c1-6-13-14-10(19-6)12-9(17)7-5-18-11(2)4-3-8(16)15(7)11/h7H,3-5H2,1-2H3,(H,12,14,17)
InChIKeyHZRJQKJINUMXIK-UHFFFAOYSA-N
XLogP1.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 16551067) is 7a-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 7a-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is Cc1nnc(NC(=O)C2CSC3(C)CCC(=O)N23)s1.
What is the InChIKey of 7a-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is HZRJQKJINUMXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-6-13-14-10(19-6)12-9(17)7-5-18-11(2)4-3-8(16)15(7)11/h7H,3-5H2,1-2H3,(H,12,14,17).
What are the key properties of 7a-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 16551067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).