2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine

C14H22N4S — CID 63231299

IUPAC2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine
SMILESCCCN(CCN(C)C)c1nc2ccc(N)cc2s1
InChIInChI=1S/C14H22N4S/c1-4-7-18(9-8-17(2)3)14-16-12-6-5-11(15)10-13(12)19-14/h5-6,10H,4,7-9,15H2,1-3H3
InChIKeyOBKGCQNFOLLIFE-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.66
Rot. Bonds6

About 2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine

2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine (PubChem CID 63231299) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine
PubChem CID63231299
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine
SMILESCCCN(CCN(C)C)c1nc2ccc(N)cc2s1
InChIInChI=1S/C14H22N4S/c1-4-7-18(9-8-17(2)3)14-16-12-6-5-11(15)10-13(12)19-14/h5-6,10H,4,7-9,15H2,1-3H3
InChIKeyOBKGCQNFOLLIFE-UHFFFAOYSA-N
XLogP2.66
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[3-(diethylamino)propyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 68770772
2-N-ethyl-2-N-(2-methylbutyl)-1,3-benzothiazole-2,6-diamine
CID 79478206
2-[(6-amino-1,3-benzothiazol-2-yl)-(cyanomethyl)amino]acetonitrile
CID 63231234
2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231248
N-[(3-aminophenyl)methyl]-N-propyl-1,3-benzothiazol-2-amine
CID 60877209
2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63405939
2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231059
2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol
CID 63231382
2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine
CID 63231075
2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine
CID 55174185
3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol
CID 63231417
N-(6-amino-1,3-benzothiazol-2-yl)-2-[methyl(propyl)amino]acetamide
CID 43270858

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine (CID 63231299) is 2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine is CCCN(CCN(C)C)c1nc2ccc(N)cc2s1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine?
The InChIKey is OBKGCQNFOLLIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-4-7-18(9-8-17(2)3)14-16-12-6-5-11(15)10-13(12)19-14/h5-6,10H,4,7-9,15H2,1-3H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine?
2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine has a molecular weight of 278.43 g/mol, XLogP of 2.66, 6 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]-2-N-propyl-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 63231299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).