3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

C16H18N6OS — CID 136548736

IUPAC3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESCc1nc2cc(NC(=O)C3Cn4c(C)nnc4CN3C)ccc2s1
InChIInChI=1S/C16H18N6OS/c1-9-19-20-15-8-21(3)13(7-22(9)15)16(23)18-11-4-5-14-12(6-11)17-10(2)24-14/h4-6,13H,7-8H2,1-3H3,(H,18,23)
InChIKeySQDDZYQHQFVWTR-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.96
Rot. Bonds2

About 3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (PubChem CID 136548736) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
PubChem CID136548736
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESCc1nc2cc(NC(=O)C3Cn4c(C)nnc4CN3C)ccc2s1
InChIInChI=1S/C16H18N6OS/c1-9-19-20-15-8-21(3)13(7-22(9)15)16(23)18-11-4-5-14-12(6-11)17-10(2)24-14/h4-6,13H,7-8H2,1-3H3,(H,18,23)
InChIKeySQDDZYQHQFVWTR-UHFFFAOYSA-N
XLogP1.96
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide with MolForge

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Related Compounds

5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525640
1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 42110934
N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511577
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrrolidine-2-carboxamide
CID 16830859
(2R)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-4-(1-propan-2-ylpyrazole-3-carbonyl)piperazine-2-carboxamide
CID 125004677
N-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 167924110
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide
CID 121018217
5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide
CID 112525625
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide
CID 16830604
(3S)-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7096310
1-(3,4-dihydroxyphenyl)-3-(2-methyl-1,3-benzothiazol-5-yl)urea
CID 142259708
N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
CID 110442376

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The IUPAC name of 3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (CID 136548736) is 3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The canonical SMILES for 3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is Cc1nc2cc(NC(=O)C3Cn4c(C)nnc4CN3C)ccc2s1.
What is the InChIKey of 3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The InChIKey is SQDDZYQHQFVWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-9-19-20-15-8-21(3)13(7-22(9)15)16(23)18-11-4-5-14-12(6-11)17-10(2)24-14/h4-6,13H,7-8H2,1-3H3,(H,18,23).
What are the key properties of 3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is sourced from PubChem (CID 136548736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).