2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

C13H23N3S2 — CID 112666371

IUPAC2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCNC1CCCc2sc(N(C)C(C)CSC)nc21
InChIInChI=1S/C13H23N3S2/c1-9(8-17-4)16(3)13-15-12-10(14-2)6-5-7-11(12)18-13/h9-10,14H,5-8H2,1-4H3
InChIKeyPQIUHRJGLDNLLT-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.93
Rot. Bonds5

About 2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (PubChem CID 112666371) has the molecular formula C13H23N3S2 and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
PubChem CID112666371
Molecular FormulaC13H23N3S2
Molecular Weight285.48 g/mol
Exact Mass285.13
IUPAC Name2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCNC1CCCc2sc(N(C)C(C)CSC)nc21
InChIInChI=1S/C13H23N3S2/c1-9(8-17-4)16(3)13-15-12-10(14-2)6-5-7-11(12)18-13/h9-10,14H,5-8H2,1-4H3
InChIKeyPQIUHRJGLDNLLT-UHFFFAOYSA-N
XLogP2.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine with MolForge

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Related Compounds

2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977023
2-N-(4-ethylcyclohexyl)-2-N,4-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977177
N-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975639
4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 115987992
2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977234
2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977268
2-N-methyl-2-N-pentan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977284
N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103503605
2-N-[(2-chlorophenyl)methyl]-2-N,4-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977143
2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977033
2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977058
2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975636

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (CID 112666371) is 2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is CNC1CCCc2sc(N(C)C(C)CSC)nc21.
What is the InChIKey of 2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The InChIKey is PQIUHRJGLDNLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S2/c1-9(8-17-4)16(3)13-15-12-10(14-2)6-5-7-11(12)18-13/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine has a molecular weight of 285.48 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is sourced from PubChem (CID 112666371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).