N-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine

C16H27N3S — CID 61330183

IUPACN-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine
SMILESCNC1(c2nc3c(s2)CCCC3)CCN(C(C)C)CC1
InChIInChI=1S/C16H27N3S/c1-12(2)19-10-8-16(17-3,9-11-19)15-18-13-6-4-5-7-14(13)20-15/h12,17H,4-11H2,1-3H3
InChIKeyWDMOQJXVLFUBRT-UHFFFAOYSA-N
MW293.48 g/mol
LogP2.94
Rot. Bonds3

About N-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine

N-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine (PubChem CID 61330183) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine
PubChem CID61330183
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine
SMILESCNC1(c2nc3c(s2)CCCC3)CCN(C(C)C)CC1
InChIInChI=1S/C16H27N3S/c1-12(2)19-10-8-16(17-3,9-11-19)15-18-13-6-4-5-7-14(13)20-15/h12,17H,4-11H2,1-3H3
InChIKeyWDMOQJXVLFUBRT-UHFFFAOYSA-N
XLogP2.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine?
The IUPAC name of N-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine (CID 61330183) is N-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine is CNC1(c2nc3c(s2)CCCC3)CCN(C(C)C)CC1.
What is the InChIKey of N-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine?
The InChIKey is WDMOQJXVLFUBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-12(2)19-10-8-16(17-3,9-11-19)15-18-13-6-4-5-7-14(13)20-15/h12,17H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine?
N-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine has a molecular weight of 293.48 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 61330183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).