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

C17H23N3S — CID 64977109

IUPAC4-N-ethyl-2-N-methyl-2-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCCNC1CCCc2sc(N(C)c3ccccc3C)nc21
InChIInChI=1S/C17H23N3S/c1-4-18-13-9-7-11-15-16(13)19-17(21-15)20(3)14-10-6-5-8-12(14)2/h5-6,8,10,13,18H,4,7,9,11H2,1-3H3
InChIKeyYIWOZWFJUHHCQZ-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.21
Rot. Bonds4

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

4-N-ethyl-2-N-methyl-2-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (PubChem CID 64977109) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 4-N-ethyl-2-N-methyl-2-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-methyl-2-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
PubChem CID64977109
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name4-N-ethyl-2-N-methyl-2-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCCNC1CCCc2sc(N(C)c3ccccc3C)nc21
InChIInChI=1S/C17H23N3S/c1-4-18-13-9-7-11-15-16(13)19-17(21-15)20(3)14-10-6-5-8-12(14)2/h5-6,8,10,13,18H,4,7,9,11H2,1-3H3
InChIKeyYIWOZWFJUHHCQZ-UHFFFAOYSA-N
XLogP4.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-ethyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977361
N-ethyl-2-(2-phenylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976180
2-N,4-N-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977301
2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977204
2-N-butan-2-yl-2-N-butyl-4-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977166
2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976182
N-ethyl-2-(5-ethylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976596
2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977128
N-ethyl-2-[(4-methylphenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 66065617
2-N-methyl-2-N-pentyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64976809
2-N-[(2-chlorophenyl)methyl]-2-N,4-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977143
5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine
CID 62769284

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-methyl-2-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-methyl-2-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (CID 64977109) is 4-N-ethyl-2-N-methyl-2-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-methyl-2-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-methyl-2-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is CCNC1CCCc2sc(N(C)c3ccccc3C)nc21.
What is the InChIKey of 4-N-ethyl-2-N-methyl-2-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The InChIKey is YIWOZWFJUHHCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-4-18-13-9-7-11-15-16(13)19-17(21-15)20(3)14-10-6-5-8-12(14)2/h5-6,8,10,13,18H,4,7,9,11H2,1-3H3.
What are the key properties of 4-N-ethyl-2-N-methyl-2-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
4-N-ethyl-2-N-methyl-2-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine has a molecular weight of 301.46 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-methyl-2-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is sourced from PubChem (CID 64977109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).