2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine

C13H13N3S2 — CID 55174185

IUPAC2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine
SMILESCN(Cc1cccs1)c1nc2ccc(N)cc2s1
InChIInChI=1S/C13H13N3S2/c1-16(8-10-3-2-6-17-10)13-15-11-5-4-9(14)7-12(11)18-13/h2-7H,8,14H2,1H3
InChIKeyCGBDNOBPVLGKGA-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.58
Rot. Bonds3

About 2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine

2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine (PubChem CID 55174185) has the molecular formula C13H13N3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine
PubChem CID55174185
Molecular FormulaC13H13N3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC Name2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine
SMILESCN(Cc1cccs1)c1nc2ccc(N)cc2s1
InChIInChI=1S/C13H13N3S2/c1-16(8-10-3-2-6-17-10)13-15-11-5-4-9(14)7-12(11)18-13/h2-7H,8,14H2,1H3
InChIKeyCGBDNOBPVLGKGA-UHFFFAOYSA-N
XLogP3.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.58
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-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
3-[[(6-amino-1,3-benzothiazol-2-yl)-methylamino]methyl]benzonitrile
CID 63231223
2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231248
2-N-[3-(diethylamino)propyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 68770772
2-iodo-1-N-methyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 66092918
2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63405939
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63233465
2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine
CID 63231299
2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796444
2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231059
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769365

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine (CID 55174185) is 2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine is CN(Cc1cccs1)c1nc2ccc(N)cc2s1.
What is the InChIKey of 2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine?
The InChIKey is CGBDNOBPVLGKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S2/c1-16(8-10-3-2-6-17-10)13-15-11-5-4-9(14)7-12(11)18-13/h2-7H,8,14H2,1H3.
What are the key properties of 2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine?
2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine has a molecular weight of 275.40 g/mol, XLogP of 3.58, 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-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 55174185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).