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

C15H19N3S — CID 64977270

IUPAC2-N-methyl-2-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCc1cccc(N(C)c2nc3c(s2)CCCC3N)c1
InChIInChI=1S/C15H19N3S/c1-10-5-3-6-11(9-10)18(2)15-17-14-12(16)7-4-8-13(14)19-15/h3,5-6,9,12H,4,7-8,16H2,1-2H3
InChIKeyGEUJFTICJFKZHO-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.56
Rot. Bonds2

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

2-N-methyl-2-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (PubChem CID 64977270) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-N-methyl-2-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
PubChem CID64977270
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-N-methyl-2-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCc1cccc(N(C)c2nc3c(s2)CCCC3N)c1
InChIInChI=1S/C15H19N3S/c1-10-5-3-6-11(9-10)18(2)15-17-14-12(16)7-4-8-13(14)19-15/h3,5-6,9,12H,4,7-8,16H2,1-2H3
InChIKeyGEUJFTICJFKZHO-UHFFFAOYSA-N
XLogP3.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The IUPAC name of 2-N-methyl-2-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (CID 64977270) is 2-N-methyl-2-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The canonical SMILES for 2-N-methyl-2-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is Cc1cccc(N(C)c2nc3c(s2)CCCC3N)c1.
What is the InChIKey of 2-N-methyl-2-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The InChIKey is GEUJFTICJFKZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-5-3-6-11(9-10)18(2)15-17-14-12(16)7-4-8-13(14)19-15/h3,5-6,9,12H,4,7-8,16H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
2-N-methyl-2-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine has a molecular weight of 273.40 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is sourced from PubChem (CID 64977270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).