methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate

C10H15N3O3S — CID 80571719

IUPACmethyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NCC(=O)NC(C)C)s1
InChIInChI=1S/C10H15N3O3S/c1-6(2)13-8(14)5-12-10-11-4-7(17-10)9(15)16-3/h4,6H,5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyHWSYELHWRULXAF-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.87
Rot. Bonds5

About methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 80571719) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID80571719
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Namemethyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NCC(=O)NC(C)C)s1
InChIInChI=1S/C10H15N3O3S/c1-6(2)13-8(14)5-12-10-11-4-7(17-10)9(15)16-3/h4,6H,5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyHWSYELHWRULXAF-UHFFFAOYSA-N
XLogP0.87
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate (CID 80571719) is methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NCC(=O)NC(C)C)s1.
What is the InChIKey of methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is HWSYELHWRULXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-6(2)13-8(14)5-12-10-11-4-7(17-10)9(15)16-3/h4,6H,5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 257.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80571719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).