N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide

C15H12N4O2S2 — CID 90625277

IUPACN-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nc2c(s1)C(=O)NCCC2)c1ccc2ncsc2c1
InChIInChI=1S/C15H12N4O2S2/c20-13(8-3-4-9-11(6-8)22-7-17-9)19-15-18-10-2-1-5-16-14(21)12(10)23-15/h3-4,6-7H,1-2,5H2,(H,16,21)(H,18,19,20)
InChIKeyQAAIMLDSPUURSA-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.68
Rot. Bonds2

About N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide

N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 90625277) has the molecular formula C15H12N4O2S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID90625277
Molecular FormulaC15H12N4O2S2
Molecular Weight344.42 g/mol
Exact Mass344.04
IUPAC NameN-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nc2c(s1)C(=O)NCCC2)c1ccc2ncsc2c1
InChIInChI=1S/C15H12N4O2S2/c20-13(8-3-4-9-11(6-8)22-7-17-9)19-15-18-10-2-1-5-16-14(21)12(10)23-15/h3-4,6-7H,1-2,5H2,(H,16,21)(H,18,19,20)
InChIKeyQAAIMLDSPUURSA-UHFFFAOYSA-N
XLogP2.68
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-2-carboxamide
CID 90625369
3-(dimethylamino)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
CID 90625460
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 90625337
6-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)pyran-3-carboxamide
CID 90625440
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)pyridine-3-carboxamide
CID 72719984
2-hydroxy-6-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1H-pyridine-4-carboxamide
CID 90625525
4-nitro-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
CID 90625358
2-benzoyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
CID 90625280
6-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1H-pyridazine-3-carboxamide
CID 90625272
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,2-oxazole-5-carboxamide
CID 90625255
4-[methyl(prop-2-enoyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
CID 166413850
2-iodo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
CID 90625349

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide (CID 90625277) is N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide is O=C(Nc1nc2c(s1)C(=O)NCCC2)c1ccc2ncsc2c1.
What is the InChIKey of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is QAAIMLDSPUURSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S2/c20-13(8-3-4-9-11(6-8)22-7-17-9)19-15-18-10-2-1-5-16-14(21)12(10)23-15/h3-4,6-7H,1-2,5H2,(H,16,21)(H,18,19,20).
What are the key properties of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide?
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 90625277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).