5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid

C10H15N3O3S2 — CID 117097930

IUPAC5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid
SMILESCc1nnc(NC(=O)CSCCCCC(=O)O)s1
InChIInChI=1S/C10H15N3O3S2/c1-7-12-13-10(18-7)11-8(14)6-17-5-3-2-4-9(15)16/h2-6H2,1H3,(H,15,16)(H,11,13,14)
InChIKeyWWSSORIQVOGTQT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.77
Rot. Bonds8

About 5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid

5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid (PubChem CID 117097930) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid.

Molecular Properties

Compound Name5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid
PubChem CID117097930
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid
SMILESCc1nnc(NC(=O)CSCCCCC(=O)O)s1
InChIInChI=1S/C10H15N3O3S2/c1-7-12-13-10(18-7)11-8(14)6-17-5-3-2-4-9(15)16/h2-6H2,1H3,(H,15,16)(H,11,13,14)
InChIKeyWWSSORIQVOGTQT-UHFFFAOYSA-N
XLogP1.77
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid
CID 117098014
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5149159
2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4597198
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394
2-[(4-aminophenyl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82178462
6-[2-(methylamino)-2-oxoethyl]sulfanylhexanoic acid
CID 58195803
4-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 82182534
2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18081156
7-[[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]amino]-7-oxoheptanoic acid
CID 166394237
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 126477699
dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium
CID 6965716

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid?
The IUPAC name of 5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid (CID 117097930) is 5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid.
What is the SMILES notation for 5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid?
The canonical SMILES for 5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid is Cc1nnc(NC(=O)CSCCCCC(=O)O)s1.
What is the InChIKey of 5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid?
The InChIKey is WWSSORIQVOGTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-7-12-13-10(18-7)11-8(14)6-17-5-3-2-4-9(15)16/h2-6H2,1H3,(H,15,16)(H,11,13,14).
What are the key properties of 5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid?
5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid has a molecular weight of 289.38 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid is sourced from PubChem (CID 117097930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).