3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid

C11H17N3O2S2 — CID 94705670

IUPAC3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
SMILESO=C(O)CCSc1nnc(NC2CCCCC2)s1
InChIInChI=1S/C11H17N3O2S2/c15-9(16)6-7-17-11-14-13-10(18-11)12-8-4-2-1-3-5-8/h8H,1-7H2,(H,12,13)(H,15,16)
InChIKeyKFBCRKPSLAMJET-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.85
Rot. Bonds6

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

3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid (PubChem CID 94705670) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid.

Molecular Properties

Compound Name3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
PubChem CID94705670
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
SMILESO=C(O)CCSc1nnc(NC2CCCCC2)s1
InChIInChI=1S/C11H17N3O2S2/c15-9(16)6-7-17-11-14-13-10(18-11)12-8-4-2-1-3-5-8/h8H,1-7H2,(H,12,13)(H,15,16)
InChIKeyKFBCRKPSLAMJET-UHFFFAOYSA-N
XLogP2.85
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic 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-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 17402396
1-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 38656059
N-cyclohexyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 47096016
2-[[5-(oxan-4-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 43610450
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-bis(2-methylpropyl)acetamide
CID 2432010
N-cyclohexyl-5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 17455895
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2998898
3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51223275
1-cyclohexyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 18578423
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 40608994
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 7485778
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenothiazin-10-ylethanone
CID 2417720

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid?
The IUPAC name of 3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid (CID 94705670) is 3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid.
What is the SMILES notation for 3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid?
The canonical SMILES for 3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid is O=C(O)CCSc1nnc(NC2CCCCC2)s1.
What is the InChIKey of 3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid?
The InChIKey is KFBCRKPSLAMJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c15-9(16)6-7-17-11-14-13-10(18-11)12-8-4-2-1-3-5-8/h8H,1-7H2,(H,12,13)(H,15,16).
What are the key properties of 3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid?
3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid has a molecular weight of 287.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid is sourced from PubChem (CID 94705670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).