2-amino-6-methyl-N-(1-phenylethenyl)-1,3-benzothiazole-7-carboxamide

C17H15N3OS — CID 145088227

IUPAC2-amino-6-methyl-N-(1-phenylethenyl)-1,3-benzothiazole-7-carboxamide
SMILESC=C(NC(=O)c1c(C)ccc2nc(N)sc12)c1ccccc1
InChIInChI=1S/C17H15N3OS/c1-10-8-9-13-15(22-17(18)20-13)14(10)16(21)19-11(2)12-6-4-3-5-7-12/h3-9H,2H2,1H3,(H2,18,20)(H,19,21)
InChIKeyBNRNEOUDLHITPA-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.59
Rot. Bonds3

About 2-amino-6-methyl-N-(1-phenylethenyl)-1,3-benzothiazole-7-carboxamide

2-amino-6-methyl-N-(1-phenylethenyl)-1,3-benzothiazole-7-carboxamide (PubChem CID 145088227) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(1-phenylethenyl)-1,3-benzothiazole-7-carboxamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(1-phenylethenyl)-1,3-benzothiazole-7-carboxamide
PubChem CID145088227
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name2-amino-6-methyl-N-(1-phenylethenyl)-1,3-benzothiazole-7-carboxamide
SMILESC=C(NC(=O)c1c(C)ccc2nc(N)sc12)c1ccccc1
InChIInChI=1S/C17H15N3OS/c1-10-8-9-13-15(22-17(18)20-13)14(10)16(21)19-11(2)12-6-4-3-5-7-12/h3-9H,2H2,1H3,(H2,18,20)(H,19,21)
InChIKeyBNRNEOUDLHITPA-UHFFFAOYSA-N
XLogP3.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(1-phenylethenyl)-1,3-benzothiazole-7-carboxamide?
The IUPAC name of 2-amino-6-methyl-N-(1-phenylethenyl)-1,3-benzothiazole-7-carboxamide (CID 145088227) is 2-amino-6-methyl-N-(1-phenylethenyl)-1,3-benzothiazole-7-carboxamide.
What is the SMILES notation for 2-amino-6-methyl-N-(1-phenylethenyl)-1,3-benzothiazole-7-carboxamide?
The canonical SMILES for 2-amino-6-methyl-N-(1-phenylethenyl)-1,3-benzothiazole-7-carboxamide is C=C(NC(=O)c1c(C)ccc2nc(N)sc12)c1ccccc1.
What is the InChIKey of 2-amino-6-methyl-N-(1-phenylethenyl)-1,3-benzothiazole-7-carboxamide?
The InChIKey is BNRNEOUDLHITPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-10-8-9-13-15(22-17(18)20-13)14(10)16(21)19-11(2)12-6-4-3-5-7-12/h3-9H,2H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 2-amino-6-methyl-N-(1-phenylethenyl)-1,3-benzothiazole-7-carboxamide?
2-amino-6-methyl-N-(1-phenylethenyl)-1,3-benzothiazole-7-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(1-phenylethenyl)-1,3-benzothiazole-7-carboxamide is sourced from PubChem (CID 145088227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).