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

C12H20N4O3S — CID 106262262

IUPAC2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl-propan-2-ylamino]acetic acid
SMILESCC(C)Cc1nnc(NC(=O)N(CC(=O)O)C(C)C)s1
InChIInChI=1S/C12H20N4O3S/c1-7(2)5-9-14-15-11(20-9)13-12(19)16(8(3)4)6-10(17)18/h7-8H,5-6H2,1-4H3,(H,17,18)(H,13,15,19)
InChIKeyFIPXJYLECOVXTH-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.06
Rot. Bonds6

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

2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl-propan-2-ylamino]acetic acid (PubChem CID 106262262) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl-propan-2-ylamino]acetic acid
PubChem CID106262262
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl-propan-2-ylamino]acetic acid
SMILESCC(C)Cc1nnc(NC(=O)N(CC(=O)O)C(C)C)s1
InChIInChI=1S/C12H20N4O3S/c1-7(2)5-9-14-15-11(20-9)13-12(19)16(8(3)4)6-10(17)18/h7-8H,5-6H2,1-4H3,(H,17,18)(H,13,15,19)
InChIKeyFIPXJYLECOVXTH-UHFFFAOYSA-N
XLogP2.06
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl-propan-2-ylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl-propan-2-ylamino]acetic acid (CID 106262262) is 2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl-propan-2-ylamino]acetic acid is CC(C)Cc1nnc(NC(=O)N(CC(=O)O)C(C)C)s1.
What is the InChIKey of 2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl-propan-2-ylamino]acetic acid?
The InChIKey is FIPXJYLECOVXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-7(2)5-9-14-15-11(20-9)13-12(19)16(8(3)4)6-10(17)18/h7-8H,5-6H2,1-4H3,(H,17,18)(H,13,15,19).
What are the key properties of 2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl-propan-2-ylamino]acetic acid?
2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl-propan-2-ylamino]acetic acid has a molecular weight of 300.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 106262262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).