5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H14N6OS2 — CID 2671499

IUPAC5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3nc4nc(C)cc(C)n4n3)cc2s1
InChIInChI=1S/C16H14N6OS2/c1-8-6-9(2)22-15(17-8)20-13(21-22)14(23)18-10-4-5-11-12(7-10)25-16(19-11)24-3/h4-7H,1-3H3,(H,18,23)
InChIKeyLZQFVDKIWNIWCM-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.33
Rot. Bonds3

About 5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2671499) has the molecular formula C16H14N6OS2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2671499
Molecular FormulaC16H14N6OS2
Molecular Weight370.46 g/mol
Exact Mass370.07
IUPAC Name5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3nc4nc(C)cc(C)n4n3)cc2s1
InChIInChI=1S/C16H14N6OS2/c1-8-6-9(2)22-15(17-8)20-13(21-22)14(23)18-10-4-5-11-12(7-10)25-16(19-11)24-3/h4-7H,1-3H3,(H,18,23)
InChIKeyLZQFVDKIWNIWCM-UHFFFAOYSA-N
XLogP3.33
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26737028
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
N-(3-iodo-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7925593
3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 43952428
4-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiadiazole-5-carboxamide
CID 43952417
5-bromo-4-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 79987558
3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 38039780
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2161628
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 1040773
5-iodo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 79692948
5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
CID 62954057
N-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26197914

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2671499) is 5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CSc1nc2ccc(NC(=O)c3nc4nc(C)cc(C)n4n3)cc2s1.
What is the InChIKey of 5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LZQFVDKIWNIWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS2/c1-8-6-9(2)22-15(17-8)20-13(21-22)14(23)18-10-4-5-11-12(7-10)25-16(19-11)24-3/h4-7H,1-3H3,(H,18,23).
What are the key properties of 5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2671499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).