N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine

C14H11N7S — CID 167502395

IUPACN-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine
SMILESCNc1ncc(-c2ccc(-c3cn[nH]c3)c3ncsc23)nn1
InChIInChI=1S/C14H11N7S/c1-15-14-16-6-11(20-21-14)10-3-2-9(8-4-18-19-5-8)12-13(10)22-7-17-12/h2-7H,1H3,(H,18,19)(H,15,16,21)
InChIKeyRRNCGGDUYIWHRX-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.58
Rot. Bonds3

About N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine

N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine (PubChem CID 167502395) has the molecular formula C14H11N7S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine
PubChem CID167502395
Molecular FormulaC14H11N7S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine
SMILESCNc1ncc(-c2ccc(-c3cn[nH]c3)c3ncsc23)nn1
InChIInChI=1S/C14H11N7S/c1-15-14-16-6-11(20-21-14)10-3-2-9(8-4-18-19-5-8)12-13(10)22-7-17-12/h2-7H,1H3,(H,18,19)(H,15,16,21)
InChIKeyRRNCGGDUYIWHRX-UHFFFAOYSA-N
XLogP2.58
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine 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

N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine
CID 156845512
4-(1H-pyrazol-4-yl)-7-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1,3-benzothiazole
CID 167502570
7-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-4-(1H-pyrazol-4-yl)-1,3-benzothiazole
CID 156845418
N-methyl-N-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 165117224
N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 156845528
[2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine
CID 167502809
N-[[(3R)-3-aminocycloheptyl]methyl]-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine
CID 156845648
7-[6-(1,7-diazaspiro[3.4]octan-1-yl)pyridazin-3-yl]-4-(1H-pyrazol-4-yl)-1,3-benzothiazole
CID 156845393
N-methyl-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-d]pyrimidin-3-amine
CID 167503098
ethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine
CID 156844905
6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile
CID 156845042
2-[3-[[(5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 139536467

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine?
The IUPAC name of N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine (CID 167502395) is N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine is CNc1ncc(-c2ccc(-c3cn[nH]c3)c3ncsc23)nn1.
What is the InChIKey of N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine?
The InChIKey is RRNCGGDUYIWHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7S/c1-15-14-16-6-11(20-21-14)10-3-2-9(8-4-18-19-5-8)12-13(10)22-7-17-12/h2-7H,1H3,(H,18,19)(H,15,16,21).
What are the key properties of N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine?
N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine has a molecular weight of 309.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 167502395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).