ethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate

C15H19N5O3S — CID 118788083

IUPACethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)NC(C)c2nnc(N)s2)cc1
InChIInChI=1S/C15H19N5O3S/c1-3-23-12(21)8-10-4-6-11(7-5-10)18-15(22)17-9(2)13-19-20-14(16)24-13/h4-7,9H,3,8H2,1-2H3,(H2,16,20)(H2,17,18,22)
InChIKeyWCKRZZREBSMVOK-UHFFFAOYSA-N
MW349.42 g/mol
LogP2.11
Rot. Bonds6

About ethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate

ethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate (PubChem CID 118788083) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is ethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate
PubChem CID118788083
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Nameethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)NC(C)c2nnc(N)s2)cc1
InChIInChI=1S/C15H19N5O3S/c1-3-23-12(21)8-10-4-6-11(7-5-10)18-15(22)17-9(2)13-19-20-14(16)24-13/h4-7,9H,3,8H2,1-2H3,(H2,16,20)(H2,17,18,22)
InChIKeyWCKRZZREBSMVOK-UHFFFAOYSA-N
XLogP2.11
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate (CID 118788083) is ethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)NC(C)c2nnc(N)s2)cc1.
What is the InChIKey of ethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate?
The InChIKey is WCKRZZREBSMVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-3-23-12(21)8-10-4-6-11(7-5-10)18-15(22)17-9(2)13-19-20-14(16)24-13/h4-7,9H,3,8H2,1-2H3,(H2,16,20)(H2,17,18,22).
What are the key properties of ethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate?
ethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate has a molecular weight of 349.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate is sourced from PubChem (CID 118788083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).