2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide

C16H23N3OS — CID 60655171

IUPAC2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C16H23N3OS/c1-10(2)8-19(9-11(3)4)15(20)12-5-6-13-14(7-12)21-16(17)18-13/h5-7,10-11H,8-9H2,1-4H3,(H2,17,18)
InChIKeyAMYURXQBYILXKV-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.63
Rot. Bonds5

About 2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide

2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 60655171) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
PubChem CID60655171
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C16H23N3OS/c1-10(2)8-19(9-11(3)4)15(20)12-5-6-13-14(7-12)21-16(17)18-13/h5-7,10-11H,8-9H2,1-4H3,(H2,17,18)
InChIKeyAMYURXQBYILXKV-UHFFFAOYSA-N
XLogP3.63
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 65349343
2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
CID 60655382
2-amino-N-(4-methylpentyl)-1,3-benzothiazole-6-carboxamide
CID 65349539
2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 113498617
2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 65349489
2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide
CID 65349632
3-[(2-amino-1,3-benzothiazole-6-carbonyl)-methylamino]propanoic acid
CID 65349258
2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 65349067
2-amino-N-(cyclopropylmethyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349726
2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 65349536
1,3-thiazol-5-ylmethyl N-[4-[(2-amino-1,3-benzothiazole-6-carbonyl)-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 74832409
2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349019

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide (CID 60655171) is 2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide is CC(C)CN(CC(C)C)C(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is AMYURXQBYILXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-10(2)8-19(9-11(3)4)15(20)12-5-6-13-14(7-12)21-16(17)18-13/h5-7,10-11H,8-9H2,1-4H3,(H2,17,18).
What are the key properties of 2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 305.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 60655171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).