[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate

C14H20N4O4S — CID 5226596

IUPAC[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
SMILESCC(OC(=O)c1snc(C(N)=O)c1N)C(=O)NC1CCCCC1
InChIInChI=1S/C14H20N4O4S/c1-7(13(20)17-8-5-3-2-4-6-8)22-14(21)11-9(15)10(12(16)19)18-23-11/h7-8H,2-6,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyLZBZMKGWHVABDP-UHFFFAOYSA-N
MW340.41 g/mol
LogP0.82
Rot. Bonds5

About [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate

[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate (PubChem CID 5226596) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
PubChem CID5226596
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
SMILESCC(OC(=O)c1snc(C(N)=O)c1N)C(=O)NC1CCCCC1
InChIInChI=1S/C14H20N4O4S/c1-7(13(20)17-8-5-3-2-4-6-8)22-14(21)11-9(15)10(12(16)19)18-23-11/h7-8H,2-6,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyLZBZMKGWHVABDP-UHFFFAOYSA-N
XLogP0.82
TPSA137.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
The IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate (CID 5226596) is [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate.
What is the SMILES notation for [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
The canonical SMILES for [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate is CC(OC(=O)c1snc(C(N)=O)c1N)C(=O)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
The InChIKey is LZBZMKGWHVABDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-7(13(20)17-8-5-3-2-4-6-8)22-14(21)11-9(15)10(12(16)19)18-23-11/h7-8H,2-6,15H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate has a molecular weight of 340.41 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 5226596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).