2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide

C15H12BrN3OS — CID 65349351

IUPAC2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)NCc3ccccc3Br)cc2s1
InChIInChI=1S/C15H12BrN3OS/c16-11-4-2-1-3-10(11)8-18-14(20)9-5-6-12-13(7-9)21-15(17)19-12/h1-7H,8H2,(H2,17,19)(H,18,20)
InChIKeyGYBVLUVTWNCLRE-UHFFFAOYSA-N
MW362.25 g/mol
LogP3.57
Rot. Bonds3

About 2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide

2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 65349351) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID65349351
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)NCc3ccccc3Br)cc2s1
InChIInChI=1S/C15H12BrN3OS/c16-11-4-2-1-3-10(11)8-18-14(20)9-5-6-12-13(7-9)21-15(17)19-12/h1-7H,8H2,(H2,17,19)(H,18,20)
InChIKeyGYBVLUVTWNCLRE-UHFFFAOYSA-N
XLogP3.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 106381237
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide
CID 115161179
2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349456
N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
CID 61401694
3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide
CID 61401723
2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide
CID 106236061
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 60657186
2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 110451539
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
2-amino-N-(3-formamidopropyl)-1,3-benzothiazole-6-carboxamide
CID 82547182

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide (CID 65349351) is 2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide is Nc1nc2ccc(C(=O)NCc3ccccc3Br)cc2s1.
What is the InChIKey of 2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is GYBVLUVTWNCLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c16-11-4-2-1-3-10(11)8-18-14(20)9-5-6-12-13(7-9)21-15(17)19-12/h1-7H,8H2,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide?
2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 362.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).