2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

C15H28N4S — CID 62752724

IUPAC2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCCCN(CCN(C)C)c1nc2c(s1)C(NC)CCC2
InChIInChI=1S/C15H28N4S/c1-5-9-19(11-10-18(3)4)15-17-13-8-6-7-12(16-2)14(13)20-15/h12,16H,5-11H2,1-4H3
InChIKeyJXEASRTUKWILNC-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.52
Rot. Bonds7

About 2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (PubChem CID 62752724) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
PubChem CID62752724
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC Name2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCCCN(CCN(C)C)c1nc2c(s1)C(NC)CCC2
InChIInChI=1S/C15H28N4S/c1-5-9-19(11-10-18(3)4)15-17-13-8-6-7-12(16-2)14(13)20-15/h12,16H,5-11H2,1-4H3
InChIKeyJXEASRTUKWILNC-UHFFFAOYSA-N
XLogP2.52
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-N-ethyl-2-N-(2-methoxyethyl)-7-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62753608
2-N,7-N-dimethyl-2-N-(2-methylsulfanylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 112666317
2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62750253
2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62751242
2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62754583
2-N,7-N-dimethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62750777
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 54444371
2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 55112269
7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 63512877
2-N-[(4-bromothiophen-2-yl)methyl]-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62752706
7-N-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62754414
2-N-[2-(dimethylamino)ethyl]-5,5-dimethyl-2-N-propyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62752227

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (CID 62752724) is 2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is CCCN(CCN(C)C)c1nc2c(s1)C(NC)CCC2.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The InChIKey is JXEASRTUKWILNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-5-9-19(11-10-18(3)4)15-17-13-8-6-7-12(16-2)14(13)20-15/h12,16H,5-11H2,1-4H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine has a molecular weight of 296.48 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is sourced from PubChem (CID 62752724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).