N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C15H29N3S — CID 107164692

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCC2(C)CCN(C)CC2)S1
InChIInChI=1S/C15H29N3S/c1-12(2)9-13-10-16-14(19-13)17-11-15(3)5-7-18(4)8-6-15/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyLHUKKNJZVVUTOZ-UHFFFAOYSA-N
MW283.48 g/mol
LogP2.83
Rot. Bonds4

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107164692) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107164692
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCC2(C)CCN(C)CC2)S1
InChIInChI=1S/C15H29N3S/c1-12(2)9-13-10-16-14(19-13)17-11-15(3)5-7-18(4)8-6-15/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyLHUKKNJZVVUTOZ-UHFFFAOYSA-N
XLogP2.83
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107164692) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(NCC2(C)CCN(C)CC2)S1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LHUKKNJZVVUTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-12(2)9-13-10-16-14(19-13)17-11-15(3)5-7-18(4)8-6-15/h12-13H,5-11H2,1-4H3,(H,16,17).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 283.48 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107164692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).