2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid

C10H15N3O4S — CID 126689942

IUPAC2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)NCc1nnc(CC(=O)O)s1
InChIInChI=1S/C10H15N3O4S/c1-10(2,3)17-9(16)11-5-7-13-12-6(18-7)4-8(14)15/h4-5H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyWLEWZNMKJKUXIO-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.19
Rot. Bonds4

About 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid

2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid (PubChem CID 126689942) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid
PubChem CID126689942
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)NCc1nnc(CC(=O)O)s1
InChIInChI=1S/C10H15N3O4S/c1-10(2,3)17-9(16)11-5-7-13-12-6(18-7)4-8(14)15/h4-5H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyWLEWZNMKJKUXIO-UHFFFAOYSA-N
XLogP1.19
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]acetic acid
CID 23330347
tert-butyl N-[[5-[(Z)-N'-hydroxycarbamimidoyl]-1,3-thiazol-2-yl]methyl]carbamate
CID 163225686
tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
CID 133059461
tert-butyl N-[[2,4,6-trimethoxy-3,5-bis[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 102224062
tert-butyl N-[[4-(dihydroxymethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 146639722
tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 83300651
tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate
CID 130992862
tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate
CID 23404363
ethane-1,2-diol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 175289352
3-[2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carbonyl]amino]ethyldisulfanyl]propanoic acid
CID 166424930
5-[(1R,2R)-2-fluorocyclopropyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 154975821
tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
CID 45092164

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid (CID 126689942) is 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid is CC(C)(C)OC(=O)NCc1nnc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid?
The InChIKey is WLEWZNMKJKUXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-10(2,3)17-9(16)11-5-7-13-12-6(18-7)4-8(14)15/h4-5H2,1-3H3,(H,11,16)(H,14,15).
What are the key properties of 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid?
2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid has a molecular weight of 273.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid is sourced from PubChem (CID 126689942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).