3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid

C10H18N4O4S2 — CID 106260239

IUPAC3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid
SMILESCC(C)Cc1nnc(NS(=O)(=O)N(C)CCC(=O)O)s1
InChIInChI=1S/C10H18N4O4S2/c1-7(2)6-8-11-12-10(19-8)13-20(17,18)14(3)5-4-9(15)16/h7H,4-6H2,1-3H3,(H,12,13)(H,15,16)
InChIKeyJZJZNIPIRDPTDL-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.80
Rot. Bonds8

About 3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid

3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid (PubChem CID 106260239) has the molecular formula C10H18N4O4S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid
PubChem CID106260239
Molecular FormulaC10H18N4O4S2
Molecular Weight322.41 g/mol
Exact Mass322.08
IUPAC Name3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid
SMILESCC(C)Cc1nnc(NS(=O)(=O)N(C)CCC(=O)O)s1
InChIInChI=1S/C10H18N4O4S2/c1-7(2)6-8-11-12-10(19-8)13-20(17,18)14(3)5-4-9(15)16/h7H,4-6H2,1-3H3,(H,12,13)(H,15,16)
InChIKeyJZJZNIPIRDPTDL-UHFFFAOYSA-N
XLogP0.80
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 106262446
2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide
CID 106262441
2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106259755
4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106261423
3-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 103601483
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid
CID 107641511
2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 19258297
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
(Z)-4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 24836004
2-methyl-2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 106261041
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 697506

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid (CID 106260239) is 3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid is CC(C)Cc1nnc(NS(=O)(=O)N(C)CCC(=O)O)s1.
What is the InChIKey of 3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid?
The InChIKey is JZJZNIPIRDPTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S2/c1-7(2)6-8-11-12-10(19-8)13-20(17,18)14(3)5-4-9(15)16/h7H,4-6H2,1-3H3,(H,12,13)(H,15,16).
What are the key properties of 3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid?
3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid has a molecular weight of 322.41 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid is sourced from PubChem (CID 106260239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).