2-cyclobutyl-2-(1,3,4-thiadiazol-2-ylamino)acetic acid

C8H11N3O2S — CID 130855989

IUPAC2-cyclobutyl-2-(1,3,4-thiadiazol-2-ylamino)acetic acid
SMILESO=C(O)C(Nc1nncs1)C1CCC1
InChIInChI=1S/C8H11N3O2S/c12-7(13)6(5-2-1-3-5)10-8-11-9-4-14-8/h4-6H,1-3H2,(H,10,11)(H,12,13)
InChIKeyJERQJGWVTPUFML-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.20
Rot. Bonds4

About 2-cyclobutyl-2-(1,3,4-thiadiazol-2-ylamino)acetic acid

2-cyclobutyl-2-(1,3,4-thiadiazol-2-ylamino)acetic acid (PubChem CID 130855989) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-cyclobutyl-2-(1,3,4-thiadiazol-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-cyclobutyl-2-(1,3,4-thiadiazol-2-ylamino)acetic acid
PubChem CID130855989
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-cyclobutyl-2-(1,3,4-thiadiazol-2-ylamino)acetic acid
SMILESO=C(O)C(Nc1nncs1)C1CCC1
InChIInChI=1S/C8H11N3O2S/c12-7(13)6(5-2-1-3-5)10-8-11-9-4-14-8/h4-6H,1-3H2,(H,10,11)(H,12,13)
InChIKeyJERQJGWVTPUFML-UHFFFAOYSA-N
XLogP1.20
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-cyclohexylacetic acid
CID 79399207
N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648731
1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191642
cis-(1S,2R)-2-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 868773
2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid
CID 63586197
6-(3-cyclohexylbutan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133356999
2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid
CID 107601020
2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid
CID 130643798
5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102689026
2-amino-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 64822320
2-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid
CID 64829261
(2R)-2-acetamido-2-cyclobutylacetic acid
CID 91654951

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-(1,3,4-thiadiazol-2-ylamino)acetic acid?
The IUPAC name of 2-cyclobutyl-2-(1,3,4-thiadiazol-2-ylamino)acetic acid (CID 130855989) is 2-cyclobutyl-2-(1,3,4-thiadiazol-2-ylamino)acetic acid.
What is the SMILES notation for 2-cyclobutyl-2-(1,3,4-thiadiazol-2-ylamino)acetic acid?
The canonical SMILES for 2-cyclobutyl-2-(1,3,4-thiadiazol-2-ylamino)acetic acid is O=C(O)C(Nc1nncs1)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-(1,3,4-thiadiazol-2-ylamino)acetic acid?
The InChIKey is JERQJGWVTPUFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-7(13)6(5-2-1-3-5)10-8-11-9-4-14-8/h4-6H,1-3H2,(H,10,11)(H,12,13).
What are the key properties of 2-cyclobutyl-2-(1,3,4-thiadiazol-2-ylamino)acetic acid?
2-cyclobutyl-2-(1,3,4-thiadiazol-2-ylamino)acetic acid has a molecular weight of 213.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-(1,3,4-thiadiazol-2-ylamino)acetic acid is sourced from PubChem (CID 130855989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).