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

C13H18N4S — CID 43382954

IUPAC2-methyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(N3CCN(C)CC3)c(N)cc2s1
InChIInChI=1S/C13H18N4S/c1-9-15-11-8-12(10(14)7-13(11)18-9)17-5-3-16(2)4-6-17/h7-8H,3-6,14H2,1-2H3
InChIKeyOAIZHLGZFFSXHM-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.94
Rot. Bonds1

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

2-methyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine (PubChem CID 43382954) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine
PubChem CID43382954
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-methyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(N3CCN(C)CC3)c(N)cc2s1
InChIInChI=1S/C13H18N4S/c1-9-15-11-8-12(10(14)7-13(11)18-9)17-5-3-16(2)4-6-17/h7-8H,3-6,14H2,1-2H3
InChIKeyOAIZHLGZFFSXHM-UHFFFAOYSA-N
XLogP1.94
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.94
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

5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine
CID 43581384
5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine
CID 43450625
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604
5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine
CID 62129326
2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-1,3-benzothiazol-6-amine
CID 62986382
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine
CID 64568220
2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrrolidin-3-yl]ethanol
CID 114796844
5-(3,3-dimethylmorpholin-4-yl)-2-methyl-1,3-benzothiazol-6-amine
CID 61430076
5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine
CID 62493954
2,6-dimethyl-1,3-benzothiazol-5-amine
CID 46912036
2-methyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-benzothiazol-6-amine
CID 79927660
1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 64780541

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine (CID 43382954) is 2-methyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine is Cc1nc2cc(N3CCN(C)CC3)c(N)cc2s1.
What is the InChIKey of 2-methyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine?
The InChIKey is OAIZHLGZFFSXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9-15-11-8-12(10(14)7-13(11)18-9)17-5-3-16(2)4-6-17/h7-8H,3-6,14H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine?
2-methyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine has a molecular weight of 262.38 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43382954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).