N-(3-methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

C16H27N3O2S — CID 74237994

IUPACN-(3-methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCOCCCN(C(=O)c1nc(C)sc1C)C1CCN(C)CC1
InChIInChI=1S/C16H27N3O2S/c1-12-15(17-13(2)22-12)16(20)19(8-5-11-21-4)14-6-9-18(3)10-7-14/h14H,5-11H2,1-4H3
InChIKeyLYFJFRWEPQXAEO-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.33
Rot. Bonds6

About N-(3-methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

N-(3-methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 74237994) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID74237994
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC NameN-(3-methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCOCCCN(C(=O)c1nc(C)sc1C)C1CCN(C)CC1
InChIInChI=1S/C16H27N3O2S/c1-12-15(17-13(2)22-12)16(20)19(8-5-11-21-4)14-6-9-18(3)10-7-14/h14H,5-11H2,1-4H3
InChIKeyLYFJFRWEPQXAEO-UHFFFAOYSA-N
XLogP2.33
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (CID 74237994) is N-(3-methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is COCCCN(C(=O)c1nc(C)sc1C)C1CCN(C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is LYFJFRWEPQXAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-12-15(17-13(2)22-12)16(20)19(8-5-11-21-4)14-6-9-18(3)10-7-14/h14H,5-11H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
N-(3-methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 325.48 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 74237994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).