3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide

C18H31N3O2S — CID 4550970

IUPAC3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
SMILESCC(C)CN(CC(=O)Nc1nccs1)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C18H31N3O2S/c1-13(2)11-21(12-15(22)20-17-19-7-8-24-17)16(23)9-14(3)10-18(4,5)6/h7-8,13-14H,9-12H2,1-6H3,(H,19,20,22)
InChIKeyKTOJQRCLGQOKJQ-UHFFFAOYSA-N
MW353.53 g/mol
LogP4.03
Rot. Bonds8

About 3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide

3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide (PubChem CID 4550970) has the molecular formula C18H31N3O2S and a molecular weight of 353.53 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide.

Molecular Properties

Compound Name3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
PubChem CID4550970
Molecular FormulaC18H31N3O2S
Molecular Weight353.53 g/mol
Exact Mass353.21
IUPAC Name3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
SMILESCC(C)CN(CC(=O)Nc1nccs1)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C18H31N3O2S/c1-13(2)11-21(12-15(22)20-17-19-7-8-24-17)16(23)9-14(3)10-18(4,5)6/h7-8,13-14H,9-12H2,1-6H3,(H,19,20,22)
InChIKeyKTOJQRCLGQOKJQ-UHFFFAOYSA-N
XLogP4.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide with MolForge

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Related Compounds

(3S)-N-[(2R)-butan-2-yl]-3,5,5-trimethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
CID 7350033
2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 813261
3,5,5-trimethyl-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide
CID 4069257
N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide
CID 47263950
2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 3412435
(3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide
CID 20712410
5,5-dimethyl-3-(1,3-thiazol-2-ylcarbamoylamino)hexanoic acid
CID 113496869
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 47123380
2,4-dimethoxy-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 3559563
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 82682761
2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 86910837

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide?
The IUPAC name of 3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide (CID 4550970) is 3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide.
What is the SMILES notation for 3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide?
The canonical SMILES for 3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide is CC(C)CN(CC(=O)Nc1nccs1)C(=O)CC(C)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide?
The InChIKey is KTOJQRCLGQOKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2S/c1-13(2)11-21(12-15(22)20-17-19-7-8-24-17)16(23)9-14(3)10-18(4,5)6/h7-8,13-14H,9-12H2,1-6H3,(H,19,20,22).
What are the key properties of 3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide?
3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide has a molecular weight of 353.53 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide is sourced from PubChem (CID 4550970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).