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

C12H15N3S — CID 63231248

IUPAC2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
SMILESCN(CC1CC1)c1nc2ccc(N)cc2s1
InChIInChI=1S/C12H15N3S/c1-15(7-8-2-3-8)12-14-10-5-4-9(13)6-11(10)16-12/h4-6,8H,2-3,7,13H2,1H3
InChIKeyIOUFAAPIUGLQQQ-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.72
Rot. Bonds3

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

2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine (PubChem CID 63231248) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
PubChem CID63231248
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
SMILESCN(CC1CC1)c1nc2ccc(N)cc2s1
InChIInChI=1S/C12H15N3S/c1-15(7-8-2-3-8)12-14-10-5-4-9(13)6-11(10)16-12/h4-6,8H,2-3,7,13H2,1H3
InChIKeyIOUFAAPIUGLQQQ-UHFFFAOYSA-N
XLogP2.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzo(d)thiazol-2-amine
CID 8706
Methabenzthiazuron
CID 29216
2,6-Benzothiazolediamine
CID 21504
Benzthiazuron
CID 16007
2-Piperazin-1-yl-1,3-benzothiazole
CID 592122
N-(4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 2360905
2-Guanidinobenzothiazole
CID 17415
N-Methylbenzothiazol-2-amine
CID 28160
Anilinobenzothiazole
CID 230981
Bentaluron
CID 4408229
2-Methyl-1,3-benzothiazol-6-amine
CID 762831
N-(2-amino-1,3-benzothiazol-6-yl)acetamide
CID 231904

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine (CID 63231248) is 2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine is CN(CC1CC1)c1nc2ccc(N)cc2s1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine?
The InChIKey is IOUFAAPIUGLQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-15(7-8-2-3-8)12-14-10-5-4-9(13)6-11(10)16-12/h4-6,8H,2-3,7,13H2,1H3.
What are the key properties of 2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine?
2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine has a molecular weight of 233.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 63231248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).