methyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate

C18H30N2O3S — CID 5034385

IUPACmethyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCCN(Cc1nc(C(=O)OC)cs1)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C18H30N2O3S/c1-7-8-20(16(21)9-13(2)10-18(3,4)5)11-15-19-14(12-24-15)17(22)23-6/h12-13H,7-11H2,1-6H3
InChIKeyUMYGYWAELONEFP-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.13
Rot. Bonds8

About methyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate

methyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 5034385) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is methyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID5034385
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Namemethyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCCN(Cc1nc(C(=O)OC)cs1)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C18H30N2O3S/c1-7-8-20(16(21)9-13(2)10-18(3,4)5)11-15-19-14(12-24-15)17(22)23-6/h12-13H,7-11H2,1-6H3
InChIKeyUMYGYWAELONEFP-UHFFFAOYSA-N
XLogP4.13
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 5133058
methyl 2-[[butanoyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3625106
methyl 2-[[hexanoyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3888215
methyl 2-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 5018166
methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 7356750
ethyl 2-[[cyclopropyl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 7271046
methyl 2-[[2-phenylbutanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3997685
methyl 2-[[3,3-dimethylbutanoyl(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 4206888
methyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate
CID 1197592
methyl 2-[[tert-butylcarbamoyl(pentyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766914
N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 7397194
methyl 2-[[naphthalene-1-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766734

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate (CID 5034385) is methyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate is CCCN(Cc1nc(C(=O)OC)cs1)C(=O)CC(C)CC(C)(C)C.
What is the InChIKey of methyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is UMYGYWAELONEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-7-8-20(16(21)9-13(2)10-18(3,4)5)11-15-19-14(12-24-15)17(22)23-6/h12-13H,7-11H2,1-6H3.
What are the key properties of methyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
methyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 354.52 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 5034385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).