2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid

C7H10N4O3S2 — CID 43545691

IUPAC2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
SMILESCC(Nc1nnc(SCC(=O)O)s1)C(N)=O
InChIInChI=1S/C7H10N4O3S2/c1-3(5(8)14)9-6-10-11-7(16-6)15-2-4(12)13/h3H,2H2,1H3,(H2,8,14)(H,9,10)(H,12,13)
InChIKeyQXFNBFWJRCVPQR-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.00
Rot. Bonds6

About 2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid

2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid (PubChem CID 43545691) has the molecular formula C7H10N4O3S2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
PubChem CID43545691
Molecular FormulaC7H10N4O3S2
Molecular Weight262.32 g/mol
Exact Mass262.02
IUPAC Name2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
SMILESCC(Nc1nnc(SCC(=O)O)s1)C(N)=O
InChIInChI=1S/C7H10N4O3S2/c1-3(5(8)14)9-6-10-11-7(16-6)15-2-4(12)13/h3H,2H2,1H3,(H2,8,14)(H,9,10)(H,12,13)
InChIKeyQXFNBFWJRCVPQR-UHFFFAOYSA-N
XLogP0.00
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid with MolForge

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Related Compounds

2-[[5-(5-methylhexan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
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2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
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2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
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N-propan-2-yl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
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2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 58800883
2-[[5-(3,5-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 29064331
2-[[5-(3,3-dimethylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61285334
2-[[5-(3,5-difluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
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2-[[5-[(4-methylpiperazin-1-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid (CID 43545691) is 2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid is CC(Nc1nnc(SCC(=O)O)s1)C(N)=O.
What is the InChIKey of 2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The InChIKey is QXFNBFWJRCVPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3S2/c1-3(5(8)14)9-6-10-11-7(16-6)15-2-4(12)13/h3H,2H2,1H3,(H2,8,14)(H,9,10)(H,12,13).
What are the key properties of 2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid has a molecular weight of 262.32 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid is sourced from PubChem (CID 43545691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).