4,4-dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid

C11H18N4O3S — CID 107474750

IUPAC4,4-dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid
SMILESCC(C)(C)CC(CNC(=O)Nc1cnns1)C(=O)O
InChIInChI=1S/C11H18N4O3S/c1-11(2,3)4-7(9(16)17)5-12-10(18)14-8-6-13-15-19-8/h6-7H,4-5H2,1-3H3,(H,16,17)(H2,12,14,18)
InChIKeyNXNWLHGYXWZMCR-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.80
Rot. Bonds5

About 4,4-dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid

4,4-dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid (PubChem CID 107474750) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid
PubChem CID107474750
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name4,4-dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid
SMILESCC(C)(C)CC(CNC(=O)Nc1cnns1)C(=O)O
InChIInChI=1S/C11H18N4O3S/c1-11(2,3)4-7(9(16)17)5-12-10(18)14-8-6-13-15-19-8/h6-7H,4-5H2,1-3H3,(H,16,17)(H2,12,14,18)
InChIKeyNXNWLHGYXWZMCR-UHFFFAOYSA-N
XLogP1.80
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid (CID 107474750) is 4,4-dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid is CC(C)(C)CC(CNC(=O)Nc1cnns1)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is NXNWLHGYXWZMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-11(2,3)4-7(9(16)17)5-12-10(18)14-8-6-13-15-19-8/h6-7H,4-5H2,1-3H3,(H,16,17)(H2,12,14,18).
What are the key properties of 4,4-dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid?
4,4-dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid has a molecular weight of 286.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 107474750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).