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

C16H17N3O2S2 — CID 24982614

IUPAC7a-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CSC4(C)CCC(=O)N34)sc2c1
InChIInChI=1S/C16H17N3O2S2/c1-9-3-4-10-12(7-9)23-15(17-10)18-14(21)11-8-22-16(2)6-5-13(20)19(11)16/h3-4,7,11H,5-6,8H2,1-2H3,(H,17,18,21)
InChIKeyMSGXHIGYTYGUCL-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.00
Rot. Bonds2

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

7a-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 24982614) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 7a-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID24982614
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC Name7a-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CSC4(C)CCC(=O)N34)sc2c1
InChIInChI=1S/C16H17N3O2S2/c1-9-3-4-10-12(7-9)23-15(17-10)18-14(21)11-8-22-16(2)6-5-13(20)19(11)16/h3-4,7,11H,5-6,8H2,1-2H3,(H,17,18,21)
InChIKeyMSGXHIGYTYGUCL-UHFFFAOYSA-N
XLogP3.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 24982614) is 7a-methyl-N-(6-methyl-1,3-benzothiazol-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-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is Cc1ccc2nc(NC(=O)C3CSC4(C)CCC(=O)N34)sc2c1.
What is the InChIKey of 7a-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is MSGXHIGYTYGUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-9-3-4-10-12(7-9)23-15(17-10)18-14(21)11-8-22-16(2)6-5-13(20)19(11)16/h3-4,7,11H,5-6,8H2,1-2H3,(H,17,18,21).
What are the key properties of 7a-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 347.47 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 24982614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).