2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide

C11H17N3O2S — CID 813261

IUPAC2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N(CC(=O)Nc1nccs1)CC(C)C
InChIInChI=1S/C11H17N3O2S/c1-8(2)6-14(9(3)15)7-10(16)13-11-12-4-5-17-11/h4-5,8H,6-7H2,1-3H3,(H,12,13,16)
InChIKeyXVTFPAJGLRLNRT-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.59
Rot. Bonds5

About 2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide

2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 813261) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID813261
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N(CC(=O)Nc1nccs1)CC(C)C
InChIInChI=1S/C11H17N3O2S/c1-8(2)6-14(9(3)15)7-10(16)13-11-12-4-5-17-11/h4-5,8H,6-7H2,1-3H3,(H,12,13,16)
InChIKeyXVTFPAJGLRLNRT-UHFFFAOYSA-N
XLogP1.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide
CID 47263950
3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
CID 4550970
2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 3412435
2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 86910837
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 47123380
2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
CID 42768343
2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 3528665
2-[cyclopropylmethyl(dimethylcarbamoyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 814302
methyl 2-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
CID 60698118
chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 174565601
N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 814245
2,4-dimethoxy-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 3559563

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide (CID 813261) is 2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide is CC(=O)N(CC(=O)Nc1nccs1)CC(C)C.
What is the InChIKey of 2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XVTFPAJGLRLNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8(2)6-14(9(3)15)7-10(16)13-11-12-4-5-17-11/h4-5,8H,6-7H2,1-3H3,(H,12,13,16).
What are the key properties of 2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 255.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 813261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).