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

C11H18N4O3S — CID 107642661

IUPAC2-[butan-2-yl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid
SMILESCCc1nnc(NC(=O)N(CC(=O)O)C(C)CC)s1
InChIInChI=1S/C11H18N4O3S/c1-4-7(3)15(6-9(16)17)11(18)12-10-14-13-8(5-2)19-10/h7H,4-6H2,1-3H3,(H,16,17)(H,12,14,18)
InChIKeyNNHRKIKOVITFPX-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.82
Rot. Bonds6

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

2-[butan-2-yl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid (PubChem CID 107642661) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[butan-2-yl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid
PubChem CID107642661
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name2-[butan-2-yl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid
SMILESCCc1nnc(NC(=O)N(CC(=O)O)C(C)CC)s1
InChIInChI=1S/C11H18N4O3S/c1-4-7(3)15(6-9(16)17)11(18)12-10-14-13-8(5-2)19-10/h7H,4-6H2,1-3H3,(H,16,17)(H,12,14,18)
InChIKeyNNHRKIKOVITFPX-UHFFFAOYSA-N
XLogP1.82
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid (CID 107642661) is 2-[butan-2-yl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid is CCc1nnc(NC(=O)N(CC(=O)O)C(C)CC)s1.
What is the InChIKey of 2-[butan-2-yl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid?
The InChIKey is NNHRKIKOVITFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-4-7(3)15(6-9(16)17)11(18)12-10-14-13-8(5-2)19-10/h7H,4-6H2,1-3H3,(H,16,17)(H,12,14,18).
What are the key properties of 2-[butan-2-yl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid?
2-[butan-2-yl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid has a molecular weight of 286.36 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107642661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).