4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine

C14H19N3S — CID 79147278

IUPAC4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NC3CCCN(C)C3)nc12
InChIInChI=1S/C14H19N3S/c1-10-5-3-7-12-13(10)16-14(18-12)15-11-6-4-8-17(2)9-11/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,15,16)
InChIKeyHRMZGEQECGGZNF-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.11
Rot. Bonds2

About 4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine

4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine (PubChem CID 79147278) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine
PubChem CID79147278
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NC3CCCN(C)C3)nc12
InChIInChI=1S/C14H19N3S/c1-10-5-3-7-12-13(10)16-14(18-12)15-11-6-4-8-17(2)9-11/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,15,16)
InChIKeyHRMZGEQECGGZNF-UHFFFAOYSA-N
XLogP3.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-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

4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 79146325
4-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzothiazol-2-amine
CID 79129229
N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine
CID 167984914
N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine
CID 155748502
N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 82549483
4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine
CID 79130669
4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine
CID 83018744
N-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79147030
N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146937
N-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine
CID 146140522
N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine
CID 51983203
2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol
CID 172554987

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine (CID 79147278) is 4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine is Cc1cccc2sc(NC3CCCN(C)C3)nc12.
What is the InChIKey of 4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine?
The InChIKey is HRMZGEQECGGZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-5-3-7-12-13(10)16-14(18-12)15-11-6-4-8-17(2)9-11/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine?
4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79147278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).