N,N,4-trimethyl-2-(2-phenoxybutanoylamino)-1,3-thiazole-5-carboxamide

C17H21N3O3S — CID 4550783

IUPACN,N,4-trimethyl-2-(2-phenoxybutanoylamino)-1,3-thiazole-5-carboxamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1nc(C)c(C(=O)N(C)C)s1
InChIInChI=1S/C17H21N3O3S/c1-5-13(23-12-9-7-6-8-10-12)15(21)19-17-18-11(2)14(24-17)16(22)20(3)4/h6-10,13H,5H2,1-4H3,(H,18,19,21)
InChIKeyHMEFUXJAQKKRAW-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.95
Rot. Bonds6

About N,N,4-trimethyl-2-(2-phenoxybutanoylamino)-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-(2-phenoxybutanoylamino)-1,3-thiazole-5-carboxamide (PubChem CID 4550783) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N,N,4-trimethyl-2-(2-phenoxybutanoylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-(2-phenoxybutanoylamino)-1,3-thiazole-5-carboxamide
PubChem CID4550783
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN,N,4-trimethyl-2-(2-phenoxybutanoylamino)-1,3-thiazole-5-carboxamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1nc(C)c(C(=O)N(C)C)s1
InChIInChI=1S/C17H21N3O3S/c1-5-13(23-12-9-7-6-8-10-12)15(21)19-17-18-11(2)14(24-17)16(22)20(3)4/h6-10,13H,5H2,1-4H3,(H,18,19,21)
InChIKeyHMEFUXJAQKKRAW-UHFFFAOYSA-N
XLogP2.95
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-(2-phenoxybutanoylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-(2-phenoxybutanoylamino)-1,3-thiazole-5-carboxamide (CID 4550783) is N,N,4-trimethyl-2-(2-phenoxybutanoylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-(2-phenoxybutanoylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-(2-phenoxybutanoylamino)-1,3-thiazole-5-carboxamide is CCC(Oc1ccccc1)C(=O)Nc1nc(C)c(C(=O)N(C)C)s1.
What is the InChIKey of N,N,4-trimethyl-2-(2-phenoxybutanoylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is HMEFUXJAQKKRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-5-13(23-12-9-7-6-8-10-12)15(21)19-17-18-11(2)14(24-17)16(22)20(3)4/h6-10,13H,5H2,1-4H3,(H,18,19,21).
What are the key properties of N,N,4-trimethyl-2-(2-phenoxybutanoylamino)-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-(2-phenoxybutanoylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-(2-phenoxybutanoylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4550783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).