5-N-[1-(dimethylamino)propan-2-yl]-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine

C15H24N4S — CID 103187574

IUPAC5-N-[1-(dimethylamino)propan-2-yl]-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine
SMILESCCN(c1cc2nc(C)sc2cc1N)C(C)CN(C)C
InChIInChI=1S/C15H24N4S/c1-6-19(10(2)9-18(4)5)14-8-13-15(7-12(14)16)20-11(3)17-13/h7-8,10H,6,9,16H2,1-5H3
InChIKeySCDIUQFHQBRAFW-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.96
Rot. Bonds5

About 5-N-[1-(dimethylamino)propan-2-yl]-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine

5-N-[1-(dimethylamino)propan-2-yl]-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine (PubChem CID 103187574) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 5-N-[1-(dimethylamino)propan-2-yl]-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine.

Molecular Properties

Compound Name5-N-[1-(dimethylamino)propan-2-yl]-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine
PubChem CID103187574
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name5-N-[1-(dimethylamino)propan-2-yl]-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine
SMILESCCN(c1cc2nc(C)sc2cc1N)C(C)CN(C)C
InChIInChI=1S/C15H24N4S/c1-6-19(10(2)9-18(4)5)14-8-13-15(7-12(14)16)20-11(3)17-13/h7-8,10H,6,9,16H2,1-5H3
InChIKeySCDIUQFHQBRAFW-UHFFFAOYSA-N
XLogP2.96
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-N,5-N-bis(2-methylpropyl)-1,3-benzothiazole-5,6-diamine
CID 43587843
5-N-ethyl-2-methyl-5-N-(2-methylbutyl)-1,3-benzothiazole-5,6-diamine
CID 79476836
5-N-butan-2-yl-5-N-butyl-2-methyl-1,3-benzothiazole-5,6-diamine
CID 63406160
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604
5-N,5-N-dibutyl-2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450495
5-N-(cyclopropylmethyl)-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine
CID 63955330
5-N,2-dimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-5,6-diamine
CID 61438201
5-N-[(4-chlorophenyl)methyl]-5-N,2-dimethyl-1,3-benzothiazole-5,6-diamine
CID 63402580
5-N-(cyclohexylmethyl)-5-N,2-dimethyl-1,3-benzothiazole-5,6-diamine
CID 63402753
2,6-dimethyl-1,3-benzothiazol-5-amine
CID 46912036
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103187578
5-amino-2-methyl-1,3-benzothiazole-6-thiol
CID 142933865

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(dimethylamino)propan-2-yl]-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine?
The IUPAC name of 5-N-[1-(dimethylamino)propan-2-yl]-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine (CID 103187574) is 5-N-[1-(dimethylamino)propan-2-yl]-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine.
What is the SMILES notation for 5-N-[1-(dimethylamino)propan-2-yl]-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine?
The canonical SMILES for 5-N-[1-(dimethylamino)propan-2-yl]-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine is CCN(c1cc2nc(C)sc2cc1N)C(C)CN(C)C.
What is the InChIKey of 5-N-[1-(dimethylamino)propan-2-yl]-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine?
The InChIKey is SCDIUQFHQBRAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-6-19(10(2)9-18(4)5)14-8-13-15(7-12(14)16)20-11(3)17-13/h7-8,10H,6,9,16H2,1-5H3.
What are the key properties of 5-N-[1-(dimethylamino)propan-2-yl]-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine?
5-N-[1-(dimethylamino)propan-2-yl]-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine has a molecular weight of 292.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(dimethylamino)propan-2-yl]-5-N-ethyl-2-methyl-1,3-benzothiazole-5,6-diamine is sourced from PubChem (CID 103187574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).