2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide

C15H15N5OS2 — CID 110451736

IUPAC2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCN1CCc2nc(NC(=O)c3ccc4nc(N)sc4c3)sc2C1
InChIInChI=1S/C15H15N5OS2/c1-20-5-4-10-12(7-20)23-15(18-10)19-13(21)8-2-3-9-11(6-8)22-14(16)17-9/h2-3,6H,4-5,7H2,1H3,(H2,16,17)(H,18,19,21)
InChIKeyQBHFYCCRLYDYNU-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.58
Rot. Bonds2

About 2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 110451736) has the molecular formula C15H15N5OS2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID110451736
Molecular FormulaC15H15N5OS2
Molecular Weight345.45 g/mol
Exact Mass345.07
IUPAC Name2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCN1CCc2nc(NC(=O)c3ccc4nc(N)sc4c3)sc2C1
InChIInChI=1S/C15H15N5OS2/c1-20-5-4-10-12(7-20)23-15(18-10)19-13(21)8-2-3-9-11(6-8)22-14(16)17-9/h2-3,6H,4-5,7H2,1H3,(H2,16,17)(H,18,19,21)
InChIKeyQBHFYCCRLYDYNU-UHFFFAOYSA-N
XLogP2.58
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 27421670
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 29199692
3-(dimethylamino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 31617960
4-cyano-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44826980
3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-oxo-1H-indole-5-carboxamide
CID 127604185
4-ethoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44827009
4-(dimethylsulfamoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44826978
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride
CID 44827048
4-(4-fluorophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 17457003
4-(diethylaminomethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 55650727
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 32690794
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-2-carboxamide
CID 29173142

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide (CID 110451736) is 2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide is CN1CCc2nc(NC(=O)c3ccc4nc(N)sc4c3)sc2C1.
What is the InChIKey of 2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is QBHFYCCRLYDYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS2/c1-20-5-4-10-12(7-20)23-15(18-10)19-13(21)8-2-3-9-11(6-8)22-14(16)17-9/h2-3,6H,4-5,7H2,1H3,(H2,16,17)(H,18,19,21).
What are the key properties of 2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 110451736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).