7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

C17H31N3S — CID 63512877

IUPAC7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCCNC1CCCc2nc(N(CC(C)C)CC(C)C)sc21
InChIInChI=1S/C17H31N3S/c1-6-18-14-8-7-9-15-16(14)21-17(19-15)20(10-12(2)3)11-13(4)5/h12-14,18H,6-11H2,1-5H3
InChIKeyLVFKYKCEIRWWDE-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.25
Rot. Bonds7

About 7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (PubChem CID 63512877) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.

Molecular Properties

Compound Name7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
PubChem CID63512877
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCCNC1CCCc2nc(N(CC(C)C)CC(C)C)sc21
InChIInChI=1S/C17H31N3S/c1-6-18-14-8-7-9-15-16(14)21-17(19-15)20(10-12(2)3)11-13(4)5/h12-14,18H,6-11H2,1-5H3
InChIKeyLVFKYKCEIRWWDE-UHFFFAOYSA-N
XLogP4.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine with MolForge

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Related Compounds

2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 63938747
2-N,7-N-diethyl-2-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62752681
7-N-ethyl-2-N-(1-methoxypropan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62753047
2-N-ethyl-2-N-(2-methylbutyl)-7-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 79480500
2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62750253
7-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 112666322
7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 55256919
2-N-benzyl-7-N-ethyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62751254
N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 113391637
2-N-[(5-chlorothiophen-2-yl)methyl]-7-N-ethyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62754948
7-N-ethyl-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62754763
N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62345258

Frequently Asked Questions

What is the IUPAC name of 7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The IUPAC name of 7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (CID 63512877) is 7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.
What is the SMILES notation for 7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The canonical SMILES for 7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is CCNC1CCCc2nc(N(CC(C)C)CC(C)C)sc21.
What is the InChIKey of 7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The InChIKey is LVFKYKCEIRWWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-6-18-14-8-7-9-15-16(14)21-17(19-15)20(10-12(2)3)11-13(4)5/h12-14,18H,6-11H2,1-5H3.
What are the key properties of 7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine has a molecular weight of 309.52 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is sourced from PubChem (CID 63512877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).