4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid

C9H15N3O2S — CID 107648177

IUPAC4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
SMILESCCc1nnc(NC(C)CCC(=O)O)s1
InChIInChI=1S/C9H15N3O2S/c1-3-7-11-12-9(15-7)10-6(2)4-5-8(13)14/h6H,3-5H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyWSBSCTSWNLUZFQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.77
Rot. Bonds6

About 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid

4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid (PubChem CID 107648177) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
PubChem CID107648177
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
SMILESCCc1nnc(NC(C)CCC(=O)O)s1
InChIInChI=1S/C9H15N3O2S/c1-3-7-11-12-9(15-7)10-6(2)4-5-8(13)14/h6H,3-5H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyWSBSCTSWNLUZFQ-UHFFFAOYSA-N
XLogP1.77
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine
CID 107648001
4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid
CID 114449379
(2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid
CID 107642531
5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine
CID 107647778
N-[1-(4-bromophenyl)propan-2-yl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 114081271
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid
CID 107641511
3-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-4-oxobutan-2-yl]carbamoylamino]propanoic acid
CID 122014211
5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine
CID 107647638
2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate
CID 18877667
(3S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
CID 133451823
2-[[5-(5-methylhexan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 63927130
2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 103668444

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
The IUPAC name of 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid (CID 107648177) is 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid.
What is the SMILES notation for 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
The canonical SMILES for 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid is CCc1nnc(NC(C)CCC(=O)O)s1.
What is the InChIKey of 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
The InChIKey is WSBSCTSWNLUZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-3-7-11-12-9(15-7)10-6(2)4-5-8(13)14/h6H,3-5H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid has a molecular weight of 229.30 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid is sourced from PubChem (CID 107648177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).