2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide

C12H17N3O3S — CID 5163798

IUPAC2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOCC(=O)N(CC(=O)Nc1nccs1)CC1CC1
InChIInChI=1S/C12H17N3O3S/c1-18-8-11(17)15(6-9-2-3-9)7-10(16)14-12-13-4-5-19-12/h4-5,9H,2-3,6-8H2,1H3,(H,13,14,16)
InChIKeyNKYWMNGCNGORBR-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.97
Rot. Bonds7

About 2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide

2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 5163798) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID5163798
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOCC(=O)N(CC(=O)Nc1nccs1)CC1CC1
InChIInChI=1S/C12H17N3O3S/c1-18-8-11(17)15(6-9-2-3-9)7-10(16)14-12-13-4-5-19-12/h4-5,9H,2-3,6-8H2,1H3,(H,13,14,16)
InChIKeyNKYWMNGCNGORBR-UHFFFAOYSA-N
XLogP0.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropylmethyl(dimethylcarbamoyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 814302
3-cyclopentyl-N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 814287
2-[cyclohexyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 3290729
N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 42771456
N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 814289
(2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
CID 7361230
2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 3528665
N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-phenylprop-2-enamide
CID 814298
N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 5105483
N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4155344
methyl 2-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
CID 60698118
4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4168579

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide (CID 5163798) is 2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide is COCC(=O)N(CC(=O)Nc1nccs1)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is NKYWMNGCNGORBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-18-8-11(17)15(6-9-2-3-9)7-10(16)14-12-13-4-5-19-12/h4-5,9H,2-3,6-8H2,1H3,(H,13,14,16).
What are the key properties of 2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 283.35 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 5163798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).