2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide

C13H19N3O3S — CID 102866785

IUPAC2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N(CCCO)C2CCC2)cs1
InChIInChI=1S/C13H19N3O3S/c1-9(18)14-13-15-11(8-20-13)12(19)16(6-3-7-17)10-4-2-5-10/h8,10,17H,2-7H2,1H3,(H,14,15,18)
InChIKeyMYFYTDIUVJXRJZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.48
Rot. Bonds6

About 2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide

2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 102866785) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID102866785
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N(CCCO)C2CCC2)cs1
InChIInChI=1S/C13H19N3O3S/c1-9(18)14-13-15-11(8-20-13)12(19)16(6-3-7-17)10-4-2-5-10/h8,10,17H,2-7H2,1H3,(H,14,15,18)
InChIKeyMYFYTDIUVJXRJZ-UHFFFAOYSA-N
XLogP1.48
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 102684996
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 102861928
2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 51097058
N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 102862752
2-acetamido-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 115772815
N-[4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 60694759
N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide
CID 65198822
2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 103798441
1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 111722532
2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 114618458
2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 39162467
N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 102866076

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide (CID 102866785) is 2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)N(CCCO)C2CCC2)cs1.
What is the InChIKey of 2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MYFYTDIUVJXRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9(18)14-13-15-11(8-20-13)12(19)16(6-3-7-17)10-4-2-5-10/h8,10,17H,2-7H2,1H3,(H,14,15,18).
What are the key properties of 2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 102866785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).