2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide

C13H14F3N3OS — CID 65349632

IUPAC2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C13H14F3N3OS/c1-7(2)19(6-13(14,15)16)11(20)8-3-4-9-10(5-8)21-12(17)18-9/h3-5,7H,6H2,1-2H3,(H2,17,18)
InChIKeyNCPSCGYZWNGODC-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.29
Rot. Bonds3

About 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 65349632) has the molecular formula C13H14F3N3OS and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID65349632
Molecular FormulaC13H14F3N3OS
Molecular Weight317.34 g/mol
Exact Mass317.08
IUPAC Name2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C13H14F3N3OS/c1-7(2)19(6-13(14,15)16)11(20)8-3-4-9-10(5-8)21-12(17)18-9/h3-5,7H,6H2,1-2H3,(H2,17,18)
InChIKeyNCPSCGYZWNGODC-UHFFFAOYSA-N
XLogP3.29
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 65349489
2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 60655171
3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60947328
2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 65349343
2-amino-N-(cyclopropylmethyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349726
4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 112706112
2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349019
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-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
CID 60655382
4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009058
2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 65349067

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide (CID 65349632) is 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide is CC(C)N(CC(F)(F)F)C(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is NCPSCGYZWNGODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3OS/c1-7(2)19(6-13(14,15)16)11(20)8-3-4-9-10(5-8)21-12(17)18-9/h3-5,7H,6H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).