2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

C13H19N5S — CID 62751549

IUPAC2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCN(Cc1cnn(C)c1)c1nc2c(s1)C(N)CCC2
InChIInChI=1S/C13H19N5S/c1-17(7-9-6-15-18(2)8-9)13-16-11-5-3-4-10(14)12(11)19-13/h6,8,10H,3-5,7,14H2,1-2H3
InChIKeyPVEPDARMYVPWLU-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.85
Rot. Bonds3

About 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (PubChem CID 62751549) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
PubChem CID62751549
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCN(Cc1cnn(C)c1)c1nc2c(s1)C(N)CCC2
InChIInChI=1S/C13H19N5S/c1-17(7-9-6-15-18(2)8-9)13-16-11-5-3-4-10(14)12(11)19-13/h6,8,10H,3-5,7,14H2,1-2H3
InChIKeyPVEPDARMYVPWLU-UHFFFAOYSA-N
XLogP1.85
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-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-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62751174
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62751052
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62751493
2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977033
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62767914
4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63916634
2-N-(2-methylpropyl)-2-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62750700
2-N,7-N-dimethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62750777
methyl 5-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113306967
5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697376
2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62985641
2-N-[(5-bromothiophen-3-yl)methyl]-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62753964

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (CID 62751549) is 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is CN(Cc1cnn(C)c1)c1nc2c(s1)C(N)CCC2.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The InChIKey is PVEPDARMYVPWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-17(7-9-6-15-18(2)8-9)13-16-11-5-3-4-10(14)12(11)19-13/h6,8,10H,3-5,7,14H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine has a molecular weight of 277.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is sourced from PubChem (CID 62751549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).