1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide

C15H13N5OS2 — CID 16952089

IUPAC1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1nc2ccc3nc(NC(=O)c4cc(C)n(C)n4)sc3c2s1
InChIInChI=1S/C15H13N5OS2/c1-7-6-11(19-20(7)3)14(21)18-15-17-10-5-4-9-12(13(10)23-15)22-8(2)16-9/h4-6H,1-3H3,(H,17,18,21)
InChIKeyFOMBOKMVSNWQDA-UHFFFAOYSA-N
MW343.44 g/mol
LogP3.51
Rot. Bonds2

About 1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide

1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 16952089) has the molecular formula C15H13N5OS2 and a molecular weight of 343.44 g/mol. Its IUPAC name is 1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide
PubChem CID16952089
Molecular FormulaC15H13N5OS2
Molecular Weight343.44 g/mol
Exact Mass343.06
IUPAC Name1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1nc2ccc3nc(NC(=O)c4cc(C)n(C)n4)sc3c2s1
InChIInChI=1S/C15H13N5OS2/c1-7-6-11(19-20(7)3)14(21)18-15-17-10-5-4-9-12(13(10)23-15)22-8(2)16-9/h4-6H,1-3H3,(H,17,18,21)
InChIKeyFOMBOKMVSNWQDA-UHFFFAOYSA-N
XLogP3.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 167906110
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 16952111
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 16809678
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 113263077
3,4,5-triethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
CID 4062314
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952106
1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 16952118
N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55752794
2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
CID 90601738
N-(3,5-difluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 163344155
N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685819
N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 113290195

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide (CID 16952089) is 1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide is Cc1nc2ccc3nc(NC(=O)c4cc(C)n(C)n4)sc3c2s1.
What is the InChIKey of 1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is FOMBOKMVSNWQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS2/c1-7-6-11(19-20(7)3)14(21)18-15-17-10-5-4-9-12(13(10)23-15)22-8(2)16-9/h4-6H,1-3H3,(H,17,18,21).
What are the key properties of 1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide?
1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 343.44 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 16952089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).