2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine

C13H14N4S — CID 43682709

IUPAC2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NCc3ccnn3C)cc2s1
InChIInChI=1S/C13H14N4S/c1-9-16-12-4-3-10(7-13(12)18-9)14-8-11-5-6-15-17(11)2/h3-7,14H,8H2,1-2H3
InChIKeyWGZBGSBGYQPUGJ-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.95
Rot. Bonds3

About 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine

2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine (PubChem CID 43682709) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
PubChem CID43682709
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NCc3ccnn3C)cc2s1
InChIInChI=1S/C13H14N4S/c1-9-16-12-4-3-10(7-13(12)18-9)14-8-11-5-6-15-17(11)2/h3-7,14H,8H2,1-2H3
InChIKeyWGZBGSBGYQPUGJ-UHFFFAOYSA-N
XLogP2.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-Pyrazol-5-yl)-1,3-benzothiazole
CID 24208803
2-(1H-pyrazol-4-yl)-1,3-benzothiazole
CID 45077572
2-Methyl-N-4-pyridinyl-6-benzothiazolamine
CID 2235649
2-(3-Methyl-1H-pyrazol-4-yl)benzo[d]thiazole
CID 45076993
US8754233, 2-(5-Amino-1H-pyrazol-4-yl)-benzothiazol-6-ylamine
CID 66768232
Benzothiazole, 2-(4-aminopyrazol-1-yl)-
CID 206702
4-(1,3-benzothiazol-2-yl)-1-methyl-1H-pyrazol-3-amine
CID 2807682
[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine
CID 66768307
Benzothiazole, 2-(4-(ethylamino)-1-pyrazolyl)-
CID 34253
Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-
CID 206237
1-ethyl-N-(2-(methylthio)benzo[d]thiazol-6-yl)-1H-pyrazole-3-carboxamide
CID 42138530
7-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridin-4-yl-[1,3]thiazolo[5,4-e]benzotriazole
CID 44243692

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine (CID 43682709) is 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine is Cc1nc2ccc(NCc3ccnn3C)cc2s1.
What is the InChIKey of 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine?
The InChIKey is WGZBGSBGYQPUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-9-16-12-4-3-10(7-13(12)18-9)14-8-11-5-6-15-17(11)2/h3-7,14H,8H2,1-2H3.
What are the key properties of 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine?
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine has a molecular weight of 258.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43682709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).