2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide

C12H10N4OS2 — CID 65349764

IUPAC2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1csc(NC(=O)c2ccc3nc(N)sc3c2)n1
InChIInChI=1S/C12H10N4OS2/c1-6-5-18-12(14-6)16-10(17)7-2-3-8-9(4-7)19-11(13)15-8/h2-5H,1H3,(H2,13,15)(H,14,16,17)
InChIKeyADNCRLNGVWZXGR-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.90
Rot. Bonds2

About 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 65349764) has the molecular formula C12H10N4OS2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID65349764
Molecular FormulaC12H10N4OS2
Molecular Weight290.37 g/mol
Exact Mass290.03
IUPAC Name2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1csc(NC(=O)c2ccc3nc(N)sc3c2)n1
InChIInChI=1S/C12H10N4OS2/c1-6-5-18-12(14-6)16-10(17)7-2-3-8-9(4-7)19-11(13)15-8/h2-5H,1H3,(H2,13,15)(H,14,16,17)
InChIKeyADNCRLNGVWZXGR-UHFFFAOYSA-N
XLogP2.90
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 65349670
2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide
CID 60719150
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 107583466
2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 110451327
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 104618861
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide (CID 65349764) is 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide is Cc1csc(NC(=O)c2ccc3nc(N)sc3c2)n1.
What is the InChIKey of 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is ADNCRLNGVWZXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS2/c1-6-5-18-12(14-6)16-10(17)7-2-3-8-9(4-7)19-11(13)15-8/h2-5H,1H3,(H2,13,15)(H,14,16,17).
What are the key properties of 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).