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

C12H18N4O3S — CID 106262139

IUPAC2-[cyclopropyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]amino]acetic acid
SMILESCC(C)Cc1nnc(NC(=O)N(CC(=O)O)C2CC2)s1
InChIInChI=1S/C12H18N4O3S/c1-7(2)5-9-14-15-11(20-9)13-12(19)16(6-10(17)18)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,17,18)(H,13,15,19)
InChIKeySJXLRJIBRYCOLR-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.82
Rot. Bonds6

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

2-[cyclopropyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]amino]acetic acid (PubChem CID 106262139) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[cyclopropyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]amino]acetic acid
PubChem CID106262139
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name2-[cyclopropyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]amino]acetic acid
SMILESCC(C)Cc1nnc(NC(=O)N(CC(=O)O)C2CC2)s1
InChIInChI=1S/C12H18N4O3S/c1-7(2)5-9-14-15-11(20-9)13-12(19)16(6-10(17)18)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,17,18)(H,13,15,19)
InChIKeySJXLRJIBRYCOLR-UHFFFAOYSA-N
XLogP1.82
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
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-[cyclopropyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]amino]acetic acid (CID 106262139) is 2-[cyclopropyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]amino]acetic acid is CC(C)Cc1nnc(NC(=O)N(CC(=O)O)C2CC2)s1.
What is the InChIKey of 2-[cyclopropyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]amino]acetic acid?
The InChIKey is SJXLRJIBRYCOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-7(2)5-9-14-15-11(20-9)13-12(19)16(6-10(17)18)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,17,18)(H,13,15,19).
What are the key properties of 2-[cyclopropyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]amino]acetic acid?
2-[cyclopropyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]amino]acetic acid has a molecular weight of 298.37 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-[cyclopropyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 106262139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).