2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid

C11H16N4O3S2 — CID 107642612

IUPAC2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid
SMILESCCc1nnc(NC(=O)N2CCSCC2CC(=O)O)s1
InChIInChI=1S/C11H16N4O3S2/c1-2-8-13-14-10(20-8)12-11(18)15-3-4-19-6-7(15)5-9(16)17/h7H,2-6H2,1H3,(H,16,17)(H,12,14,18)
InChIKeyVVPSIZPOHZWWIU-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.52
Rot. Bonds4

About 2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid

2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid (PubChem CID 107642612) has the molecular formula C11H16N4O3S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid
PubChem CID107642612
Molecular FormulaC11H16N4O3S2
Molecular Weight316.41 g/mol
Exact Mass316.07
IUPAC Name2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid
SMILESCCc1nnc(NC(=O)N2CCSCC2CC(=O)O)s1
InChIInChI=1S/C11H16N4O3S2/c1-2-8-13-14-10(20-8)12-11(18)15-3-4-19-6-7(15)5-9(16)17/h7H,2-6H2,1H3,(H,16,17)(H,12,14,18)
InChIKeyVVPSIZPOHZWWIU-UHFFFAOYSA-N
XLogP1.52
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(thiatriazol-5-ylcarbamoyl)thiomorpholin-3-yl]acetic acid
CID 114913395
2-[4-(2-methylsulfanylacetyl)thiomorpholin-3-yl]acetic acid
CID 66443082
2-[4-[1-(1,3-thiazol-2-yl)propylcarbamoyl]thiomorpholin-3-yl]acetic acid
CID 66420197
2-[4-[(3-methylsulfanylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66444509
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 107642586
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47074211
2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid
CID 66444849
tert-butyl (2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylate
CID 167923098
2-[4-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 79558482
2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66445143
2-[4-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66444189
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 107642686

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid (CID 107642612) is 2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid is CCc1nnc(NC(=O)N2CCSCC2CC(=O)O)s1.
What is the InChIKey of 2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is VVPSIZPOHZWWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S2/c1-2-8-13-14-10(20-8)12-11(18)15-3-4-19-6-7(15)5-9(16)17/h7H,2-6H2,1H3,(H,16,17)(H,12,14,18).
What are the key properties of 2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid?
2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 316.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 107642612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).