2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine

C18H16N4OS — CID 2421626

IUPAC2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine
SMILESCOc1ccc(Nc2cc(C)nn2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C18H16N4OS/c1-12-11-17(19-13-7-9-14(23-2)10-8-13)22(21-12)18-20-15-5-3-4-6-16(15)24-18/h3-11,19H,1-2H3
InChIKeyRMXMFEISXNTEOH-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.54
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine

2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine (PubChem CID 2421626) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine
PubChem CID2421626
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine
SMILESCOc1ccc(Nc2cc(C)nn2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C18H16N4OS/c1-12-11-17(19-13-7-9-14(23-2)10-8-13)22(21-12)18-20-15-5-3-4-6-16(15)24-18/h3-11,19H,1-2H3
InChIKeyRMXMFEISXNTEOH-UHFFFAOYSA-N
XLogP4.54
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-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-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-methylquinoxalin-2-amine
CID 108773455
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide
CID 2333943
2-fluoro-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 27378406
N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]thiophene-2-sulfonamide
CID 108781240
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-chlorobenzamide
CID 2381036
2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine
CID 82192583
1-(3-chlorophenyl)-3-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]urea
CID 108781258
(Z)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide
CID 108755058
2-methoxy-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4,5-dimethylbenzenesulfonamide
CID 108781239
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-5-bromothiophene-2-carboxamide
CID 27378363
N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-naphthalen-2-yloxybutanamide
CID 108755088
N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108755100

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine (CID 2421626) is 2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine is COc1ccc(Nc2cc(C)nn2-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine?
The InChIKey is RMXMFEISXNTEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-12-11-17(19-13-7-9-14(23-2)10-8-13)22(21-12)18-20-15-5-3-4-6-16(15)24-18/h3-11,19H,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine?
2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine has a molecular weight of 336.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 2421626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).