ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate

C10H13N3O3S — CID 54983831

IUPACethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1cnsn1)C1CC1
InChIInChI=1S/C10H13N3O3S/c1-2-16-9(14)6-13(7-3-4-7)10(15)8-5-11-17-12-8/h5,7H,2-4,6H2,1H3
InChIKeyMPTNYTVNMIPYJU-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.71
Rot. Bonds5

About ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate

ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate (PubChem CID 54983831) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate
PubChem CID54983831
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Nameethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1cnsn1)C1CC1
InChIInChI=1S/C10H13N3O3S/c1-2-16-9(14)6-13(7-3-4-7)10(15)8-5-11-17-12-8/h5,7H,2-4,6H2,1H3
InChIKeyMPTNYTVNMIPYJU-UHFFFAOYSA-N
XLogP0.71
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
CID 47981242
ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate
CID 115694608
ethyl 2-[cyclopropyl-(4-iodobenzoyl)amino]acetate
CID 61400648
ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate
CID 61400649
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate
CID 60953815
ethyl 2-[cyclopropyl(1,2-oxazole-5-carbonyl)amino]acetate
CID 55005865
ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate
CID 79319742
ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate
CID 54983961
ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate
CID 103826852
ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate
CID 54983870
ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate
CID 65465117

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate (CID 54983831) is ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate is CCOC(=O)CN(C(=O)c1cnsn1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate?
The InChIKey is MPTNYTVNMIPYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-2-16-9(14)6-13(7-3-4-7)10(15)8-5-11-17-12-8/h5,7H,2-4,6H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate?
ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate has a molecular weight of 255.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate is sourced from PubChem (CID 54983831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).