[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate

C13H13N5O4S2 — CID 23850710

IUPAC[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
SMILESNC(=O)c1ccccc1NC(=O)COC(=O)CSc1nnc(N)s1
InChIInChI=1S/C13H13N5O4S2/c14-11(21)7-3-1-2-4-8(7)16-9(19)5-22-10(20)6-23-13-18-17-12(15)24-13/h1-4H,5-6H2,(H2,14,21)(H2,15,17)(H,16,19)
InChIKeyMBDMQNGDOACNER-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.49
Rot. Bonds7

About [2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate

[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (PubChem CID 23850710) has the molecular formula C13H13N5O4S2 and a molecular weight of 367.41 g/mol. Its IUPAC name is [2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Name[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
PubChem CID23850710
Molecular FormulaC13H13N5O4S2
Molecular Weight367.41 g/mol
Exact Mass367.04
IUPAC Name[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
SMILESNC(=O)c1ccccc1NC(=O)COC(=O)CSc1nnc(N)s1
InChIInChI=1S/C13H13N5O4S2/c14-11(21)7-3-1-2-4-8(7)16-9(19)5-22-10(20)6-23-13-18-17-12(15)24-13/h1-4H,5-6H2,(H2,14,21)(H2,15,17)(H,16,19)
InChIKeyMBDMQNGDOACNER-UHFFFAOYSA-N
XLogP0.49
TPSA150.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-bromophenyl)acetamide
CID 2171104
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 4836513
2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 2522291
methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 7784001
ethyl 2-[[2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]oxyacetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate
CID 2448230
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-naphthalen-1-ylethanone
CID 593277
[2-(2-carbamoylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7890744
2-[[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
CID 19204378
[2-(2-acetylanilino)-2-oxoethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 41146568
N-(2-aminophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60875606
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenoxy]phenyl]acetamide
CID 17324757
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 16601030

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (CID 23850710) is [2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for [2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for [2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is NC(=O)c1ccccc1NC(=O)COC(=O)CSc1nnc(N)s1.
What is the InChIKey of [2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The InChIKey is MBDMQNGDOACNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4S2/c14-11(21)7-3-1-2-4-8(7)16-9(19)5-22-10(20)6-23-13-18-17-12(15)24-13/h1-4H,5-6H2,(H2,14,21)(H2,15,17)(H,16,19).
What are the key properties of [2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate has a molecular weight of 367.41 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 23850710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).