2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine

C15H22N4S — CID 63233465

IUPAC2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine
SMILESCN1CCC(CN(C)c2nc3ccc(N)cc3s2)CC1
InChIInChI=1S/C15H22N4S/c1-18-7-5-11(6-8-18)10-19(2)15-17-13-4-3-12(16)9-14(13)20-15/h3-4,9,11H,5-8,10,16H2,1-2H3
InChIKeyCHISDYNWRLIJRE-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.66
Rot. Bonds3

About 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine

2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine (PubChem CID 63233465) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine
PubChem CID63233465
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine
SMILESCN1CCC(CN(C)c2nc3ccc(N)cc3s2)CC1
InChIInChI=1S/C15H22N4S/c1-18-7-5-11(6-8-18)10-19(2)15-17-13-4-3-12(16)9-14(13)20-15/h3-4,9,11H,5-8,10,16H2,1-2H3
InChIKeyCHISDYNWRLIJRE-UHFFFAOYSA-N
XLogP2.66
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.66
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-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231248
2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine
CID 114515038
5-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 63234453
2-N-[3-(diethylamino)propyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 68770772
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
N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 141142591
2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63231406
2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231007
4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79399549
4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80828094
4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 83156478

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine (CID 63233465) is 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine is CN1CCC(CN(C)c2nc3ccc(N)cc3s2)CC1.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine?
The InChIKey is CHISDYNWRLIJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-18-7-5-11(6-8-18)10-19(2)15-17-13-4-3-12(16)9-14(13)20-15/h3-4,9,11H,5-8,10,16H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine?
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine has a molecular weight of 290.44 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 63233465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).