N-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide

C17H10N4OS3 — CID 4158052

IUPACN-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc3sc(NC(=O)c4ccc5ncsc5c4)nc3c2s1
InChIInChI=1S/C17H10N4OS3/c1-8-19-11-4-5-12-14(15(11)24-8)20-17(25-12)21-16(22)9-2-3-10-13(6-9)23-7-18-10/h2-7H,1H3,(H,20,21,22)
InChIKeyMXRBAJVBWGVZJI-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.08
Rot. Bonds2

About N-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide

N-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 4158052) has the molecular formula C17H10N4OS3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID4158052
Molecular FormulaC17H10N4OS3
Molecular Weight382.50 g/mol
Exact Mass382.00
IUPAC NameN-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc3sc(NC(=O)c4ccc5ncsc5c4)nc3c2s1
InChIInChI=1S/C17H10N4OS3/c1-8-19-11-4-5-12-14(15(11)24-8)20-17(25-12)21-16(22)9-2-3-10-13(6-9)23-7-18-10/h2-7H,1H3,(H,20,21,22)
InChIKeyMXRBAJVBWGVZJI-UHFFFAOYSA-N
XLogP5.08
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide (CID 4158052) is N-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide is Cc1nc2ccc3sc(NC(=O)c4ccc5ncsc5c4)nc3c2s1.
What is the InChIKey of N-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is MXRBAJVBWGVZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4OS3/c1-8-19-11-4-5-12-14(15(11)24-8)20-17(25-12)21-16(22)9-2-3-10-13(6-9)23-7-18-10/h2-7H,1H3,(H,20,21,22).
What are the key properties of N-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide?
N-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 4158052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).