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

C7H10N2O2S2 — CID 23006954

IUPAC2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
SMILESCC(C)c1nnc(SCC(=O)O)s1
InChIInChI=1S/C7H10N2O2S2/c1-4(2)6-8-9-7(13-6)12-3-5(10)11/h4H,3H2,1-2H3,(H,10,11)
InChIKeyHNONGMAJULATDP-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.84
Rot. Bonds4

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

2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid (PubChem CID 23006954) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
PubChem CID23006954
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Name2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
SMILESCC(C)c1nnc(SCC(=O)O)s1
InChIInChI=1S/C7H10N2O2S2/c1-4(2)6-8-9-7(13-6)12-3-5(10)11/h4H,3H2,1-2H3,(H,10,11)
InChIKeyHNONGMAJULATDP-UHFFFAOYSA-N
XLogP1.84
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
CID 23006956
2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 58800883
2-[[5-[(1-amino-1-oxopropan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 43545691
2-[[5-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 103190821
2-[[5-(5-methylhexan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 63927130
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 3285055
2-[[5-(1-methylsulfonylpropan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 64643610
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 23904590
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-[(4-methylpiperazin-1-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 83017713
2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 23007269

Frequently Asked Questions

What is the IUPAC name of 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid (CID 23006954) is 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid is CC(C)c1nnc(SCC(=O)O)s1.
What is the InChIKey of 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid?
The InChIKey is HNONGMAJULATDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-4(2)6-8-9-7(13-6)12-3-5(10)11/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid?
2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid has a molecular weight of 218.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 23006954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).