5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine

C13H13ClN4S — CID 62129326

IUPAC5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(-n3nc(C)c(Cl)c3C)c(N)cc2s1
InChIInChI=1S/C13H13ClN4S/c1-6-13(14)7(2)18(17-6)11-5-10-12(4-9(11)15)19-8(3)16-10/h4-5H,15H2,1-3H3
InChIKeyIGRPNBBUZBZDIP-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.64
Rot. Bonds1

About 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine

5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 62129326) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine
PubChem CID62129326
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(-n3nc(C)c(Cl)c3C)c(N)cc2s1
InChIInChI=1S/C13H13ClN4S/c1-6-13(14)7(2)18(17-6)11-5-10-12(4-9(11)15)19-8(3)16-10/h4-5H,15H2,1-3H3
InChIKeyIGRPNBBUZBZDIP-UHFFFAOYSA-N
XLogP3.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine
CID 43382954
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine
CID 43581384
5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine
CID 62493954
5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine
CID 43450625
1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 64780541
2,6-dimethyl-1,3-benzothiazol-5-amine
CID 46912036
5-(3,3-dimethylmorpholin-4-yl)-2-methyl-1,3-benzothiazol-6-amine
CID 61430076
5-amino-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dihydroindol-2-one
CID 62129661
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine
CID 64568220
2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-1,3-benzothiazol-6-amine
CID 62986382
5-amino-2-methyl-1,3-benzothiazole-6-thiol
CID 142933865

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine (CID 62129326) is 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine is Cc1nc2cc(-n3nc(C)c(Cl)c3C)c(N)cc2s1.
What is the InChIKey of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is IGRPNBBUZBZDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c1-6-13(14)7(2)18(17-6)11-5-10-12(4-9(11)15)19-8(3)16-10/h4-5H,15H2,1-3H3.
What are the key properties of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine?
5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 292.80 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 62129326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).