2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C17H27N3S — CID 75383177

IUPAC2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESC=C(C)CN1CCC(NC2CCCc3nc(C)sc32)CC1
InChIInChI=1S/C17H27N3S/c1-12(2)11-20-9-7-14(8-10-20)19-16-6-4-5-15-17(16)21-13(3)18-15/h14,16,19H,1,4-11H2,2-3H3
InChIKeyCHBUEWQDHJEXTG-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.46
Rot. Bonds4

About 2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 75383177) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID75383177
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESC=C(C)CN1CCC(NC2CCCc3nc(C)sc32)CC1
InChIInChI=1S/C17H27N3S/c1-12(2)11-20-9-7-14(8-10-20)19-16-6-4-5-15-17(16)21-13(3)18-15/h14,16,19H,1,4-11H2,2-3H3
InChIKeyCHBUEWQDHJEXTG-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 75383177) is 2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is C=C(C)CN1CCC(NC2CCCc3nc(C)sc32)CC1.
What is the InChIKey of 2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is CHBUEWQDHJEXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-12(2)11-20-9-7-14(8-10-20)19-16-6-4-5-15-17(16)21-13(3)18-15/h14,16,19H,1,4-11H2,2-3H3.
What are the key properties of 2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 305.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 75383177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).