2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C17H19N3O3S — CID 4052985

IUPAC2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN(C(=O)COc2ccccc2)C2CC2)s1
InChIInChI=1S/C17H19N3O3S/c1-12-9-18-17(24-12)19-15(21)10-20(13-7-8-13)16(22)11-23-14-5-3-2-4-6-14/h2-6,9,13H,7-8,10-11H2,1H3,(H,18,19,21)
InChIKeyHMLVXHXOVSIADI-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.46
Rot. Bonds7

About 2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4052985) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID4052985
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN(C(=O)COc2ccccc2)C2CC2)s1
InChIInChI=1S/C17H19N3O3S/c1-12-9-18-17(24-12)19-15(21)10-20(13-7-8-13)16(22)11-23-14-5-3-2-4-6-14/h2-6,9,13H,7-8,10-11H2,1H3,(H,18,19,21)
InChIKeyHMLVXHXOVSIADI-UHFFFAOYSA-N
XLogP2.46
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
CID 4052980
ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate
CID 42770878
N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 813355
(2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide
CID 94801580
N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409352
2-[cyclopropyl(methylsulfonyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 42664152
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46491720
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 813342
2-(3-acetylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2673036
4-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 42770793
N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 110718267
2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 60826404

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 4052985) is 2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CN(C(=O)COc2ccccc2)C2CC2)s1.
What is the InChIKey of 2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HMLVXHXOVSIADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-9-18-17(24-12)19-15(21)10-20(13-7-8-13)16(22)11-23-14-5-3-2-4-6-14/h2-6,9,13H,7-8,10-11H2,1H3,(H,18,19,21).
What are the key properties of 2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 345.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4052985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).