ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate

C14H20N4O4S — CID 42770878

IUPACethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC(=O)Nc1ncc(C)s1)C1CC1
InChIInChI=1S/C14H20N4O4S/c1-3-22-12(20)7-16-14(21)18(10-4-5-10)8-11(19)17-13-15-6-9(2)23-13/h6,10H,3-5,7-8H2,1-2H3,(H,16,21)(H,15,17,19)
InChIKeyGRMBTWYPDUZQND-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.13
Rot. Bonds7

About ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate

ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate (PubChem CID 42770878) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate
PubChem CID42770878
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Nameethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC(=O)Nc1ncc(C)s1)C1CC1
InChIInChI=1S/C14H20N4O4S/c1-3-22-12(20)7-16-14(21)18(10-4-5-10)8-11(19)17-13-15-6-9(2)23-13/h6,10H,3-5,7-8H2,1-2H3,(H,16,21)(H,15,17,19)
InChIKeyGRMBTWYPDUZQND-UHFFFAOYSA-N
XLogP1.13
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate with MolForge

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Related Compounds

Methyl 3,3,3-trifluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(propionylamino)propanoate
CID 5103390
N-(5-methyl-1,3-thiazol-2-yl)-2-(morpholin-4-yl)acetamide
CID 17634923
Methyl 2-(acetylamino)-3,3,3-trifluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate
CID 24776168
ethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47051864
methyl (2R)-3,3,3-trifluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(propanoylamino)propanoate
CID 1716889
methyl (2S)-3,3,3-trifluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(propanoylamino)propanoate
CID 1716890
methyl (2S)-2-acetamido-3,3,3-trifluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate
CID 1716891
methyl (2R)-2-acetamido-3,3,3-trifluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate
CID 1716892
N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetamide
CID 133522250
1-Morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-1-one
CID 133523046
2-(2-methoxyethylamino)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3229598
2-[2-(dimethylamino)ethylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229632

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate (CID 42770878) is ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(CC(=O)Nc1ncc(C)s1)C1CC1.
What is the InChIKey of ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate?
The InChIKey is GRMBTWYPDUZQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-3-22-12(20)7-16-14(21)18(10-4-5-10)8-11(19)17-13-15-6-9(2)23-13/h6,10H,3-5,7-8H2,1-2H3,(H,16,21)(H,15,17,19).
What are the key properties of ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate?
ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate has a molecular weight of 340.41 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate is sourced from PubChem (CID 42770878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).