2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide

C14H13N3OS2 — CID 60668647

IUPAC2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C14H13N3OS2/c1-17(7-9-4-5-19-8-9)13(18)10-2-3-11-12(6-10)20-14(15)16-11/h2-6,8H,7H2,1H3,(H2,15,16)
InChIKeyXVFKKYQEEMXPQU-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.21
Rot. Bonds3

About 2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 60668647) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID60668647
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C14H13N3OS2/c1-17(7-9-4-5-19-8-9)13(18)10-2-3-11-12(6-10)20-14(15)16-11/h2-6,8H,7H2,1H3,(H2,15,16)
InChIKeyXVFKKYQEEMXPQU-UHFFFAOYSA-N
XLogP3.21
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 65349208
N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
CID 18126143
2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 113498617
3-[(2-amino-1,3-benzothiazole-6-carbonyl)-methylamino]propanoic acid
CID 65349258
2-amino-N-(cyclopropylmethyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349726
4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62678324
2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349262
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 43396649
2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 60655171
2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 65349067
2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349019
3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 79673638

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide (CID 60668647) is 2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide is CN(Cc1ccsc1)C(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is XVFKKYQEEMXPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-17(7-9-4-5-19-8-9)13(18)10-2-3-11-12(6-10)20-14(15)16-11/h2-6,8H,7H2,1H3,(H2,15,16).
What are the key properties of 2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 60668647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).