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

C15H19N3OS — CID 65349343

IUPAC2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
SMILESCC(C)CN(C(=O)c1ccc2nc(N)sc2c1)C1CC1
InChIInChI=1S/C15H19N3OS/c1-9(2)8-18(11-4-5-11)14(19)10-3-6-12-13(7-10)20-15(16)17-12/h3,6-7,9,11H,4-5,8H2,1-2H3,(H2,16,17)
InChIKeyDZSFFTDECGJPAZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.14
Rot. Bonds4

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

2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 65349343) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
PubChem CID65349343
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
SMILESCC(C)CN(C(=O)c1ccc2nc(N)sc2c1)C1CC1
InChIInChI=1S/C15H19N3OS/c1-9(2)8-18(11-4-5-11)14(19)10-3-6-12-13(7-10)20-15(16)17-12/h3,6-7,9,11H,4-5,8H2,1-2H3,(H2,16,17)
InChIKeyDZSFFTDECGJPAZ-UHFFFAOYSA-N
XLogP3.14
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 60655171
2-amino-N-(cyclopropylmethyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349726
2-amino-N-(4-methylpentyl)-1,3-benzothiazole-6-carboxamide
CID 65349539
3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 61107794
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
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid
CID 55001659
3-[(2-amino-1,3-benzothiazole-6-carbonyl)-methylamino]propanoic acid
CID 65349258
2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 113498617
2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
CID 60655382
2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349262

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide (CID 65349343) is 2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide is CC(C)CN(C(=O)c1ccc2nc(N)sc2c1)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is DZSFFTDECGJPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9(2)8-18(11-4-5-11)14(19)10-3-6-12-13(7-10)20-15(16)17-12/h3,6-7,9,11H,4-5,8H2,1-2H3,(H2,16,17).
What are the key properties of 2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).