N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide

C19H32N4OS2 — CID 26328843

IUPACN-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
SMILESCCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)c1csc(SC)n1
InChIInChI=1S/C19H32N4OS2/c1-4-22(18(24)17-14-26-19(20-17)25-3)13-15-5-11-23(12-6-15)16-7-9-21(2)10-8-16/h14-16H,4-13H2,1-3H3
InChIKeyHDUCSMLKOSTORC-UHFFFAOYSA-N
MW396.63 g/mol
LogP3.13
Rot. Bonds6

About N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide

N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide (PubChem CID 26328843) has the molecular formula C19H32N4OS2 and a molecular weight of 396.63 g/mol. Its IUPAC name is N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
PubChem CID26328843
Molecular FormulaC19H32N4OS2
Molecular Weight396.63 g/mol
Exact Mass396.20
IUPAC NameN-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
SMILESCCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)c1csc(SC)n1
InChIInChI=1S/C19H32N4OS2/c1-4-22(18(24)17-14-26-19(20-17)25-3)13-15-5-11-23(12-6-15)16-7-9-21(2)10-8-16/h14-16H,4-13H2,1-3H3
InChIKeyHDUCSMLKOSTORC-UHFFFAOYSA-N
XLogP3.13
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.63
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide (CID 26328843) is N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide is CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)c1csc(SC)n1.
What is the InChIKey of N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The InChIKey is HDUCSMLKOSTORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OS2/c1-4-22(18(24)17-14-26-19(20-17)25-3)13-15-5-11-23(12-6-15)16-7-9-21(2)10-8-16/h14-16H,4-13H2,1-3H3.
What are the key properties of N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide has a molecular weight of 396.63 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 26328843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).