2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid

C11H13N5O4S — CID 106420280

IUPAC2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1nc(CCNC(=O)NCc2nc(C(=O)O)cs2)no1
InChIInChI=1S/C11H13N5O4S/c1-6-14-8(16-20-6)2-3-12-11(19)13-4-9-15-7(5-21-9)10(17)18/h5H,2-4H2,1H3,(H,17,18)(H2,12,13,19)
InChIKeyFJWIVHQLDJJXCM-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.57
Rot. Bonds6

About 2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 106420280) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID106420280
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC Name2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1nc(CCNC(=O)NCc2nc(C(=O)O)cs2)no1
InChIInChI=1S/C11H13N5O4S/c1-6-14-8(16-20-6)2-3-12-11(19)13-4-9-15-7(5-21-9)10(17)18/h5H,2-4H2,1H3,(H,17,18)(H2,12,13,19)
InChIKeyFJWIVHQLDJJXCM-UHFFFAOYSA-N
XLogP0.57
TPSA130.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375498
2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380294
2-[2-[(5-methylthiophen-2-yl)methylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374533
2-[(hexylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66378622
2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66378711
2-[[2-(cyclopenten-1-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 106178511
2-[2-(thiophen-3-ylmethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373008
2-[(2-pyridin-3-ylethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381322
2-[2-[2-(diethylamino)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373322
2-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372558
2-[[[(Z)-2-methylbut-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 115909985
2-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379989

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid (CID 106420280) is 2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid is Cc1nc(CCNC(=O)NCc2nc(C(=O)O)cs2)no1.
What is the InChIKey of 2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FJWIVHQLDJJXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-6-14-8(16-20-6)2-3-12-11(19)13-4-9-15-7(5-21-9)10(17)18/h5H,2-4H2,1H3,(H,17,18)(H2,12,13,19).
What are the key properties of 2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 311.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106420280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).