[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

C19H26N4OS — CID 70711939

IUPAC[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CCCCC2c2ccc(CN(C)C)cc2)cs1
InChIInChI=1S/C19H26N4OS/c1-20-19-21-16(13-25-19)18(24)23-11-5-4-6-17(23)15-9-7-14(8-10-15)12-22(2)3/h7-10,13,17H,4-6,11-12H2,1-3H3,(H,20,21)
InChIKeyUSOVACCLTJOCIM-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.61
Rot. Bonds5

About [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 70711939) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
PubChem CID70711939
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CCCCC2c2ccc(CN(C)C)cc2)cs1
InChIInChI=1S/C19H26N4OS/c1-20-19-21-16(13-25-19)18(24)23-11-5-4-6-17(23)15-9-7-14(8-10-15)12-22(2)3/h7-10,13,17H,4-6,11-12H2,1-3H3,(H,20,21)
InChIKeyUSOVACCLTJOCIM-UHFFFAOYSA-N
XLogP3.61
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (CID 70711939) is [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is CNc1nc(C(=O)N2CCCCC2c2ccc(CN(C)C)cc2)cs1.
What is the InChIKey of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is USOVACCLTJOCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-20-19-21-16(13-25-19)18(24)23-11-5-4-6-17(23)15-9-7-14(8-10-15)12-22(2)3/h7-10,13,17H,4-6,11-12H2,1-3H3,(H,20,21).
What are the key properties of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 358.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 70711939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).