2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid

C8H12N4O3S — CID 61192715

IUPAC2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Nc1nncs1
InChIInChI=1S/C8H12N4O3S/c1-5(2)12(3-6(13)14)8(15)10-7-11-9-4-16-7/h4-5H,3H2,1-2H3,(H,13,14)(H,10,11,15)
InChIKeyVPWCNZNHXUERLY-UHFFFAOYSA-N
MW244.28 g/mol
LogP0.87
Rot. Bonds4

About 2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid

2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (PubChem CID 61192715) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
PubChem CID61192715
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Nc1nncs1
InChIInChI=1S/C8H12N4O3S/c1-5(2)12(3-6(13)14)8(15)10-7-11-9-4-16-7/h4-5H,3H2,1-2H3,(H,13,14)(H,10,11,15)
InChIKeyVPWCNZNHXUERLY-UHFFFAOYSA-N
XLogP0.87
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]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

Related Compounds

2-[1,3,4-Thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258122
2-[Methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 43135652
2-(1,3,4-Thiadiazol-2-ylcarbamoylamino)acetic acid
CID 43445732
2-[Cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 43655646
2-[Ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]-2-methylpropanoic acid
CID 55123987
2-[2-Methylpropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 55147440
2-[Cyclopentyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 61192145
2-[Butan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 61192256
3,3-Dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 61192361
2-(1,3,4-Thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 61192362
2-[[2-(1,3,4-Thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61192364
3-Methyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 61192470

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (CID 61192715) is 2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is CC(C)N(CC(=O)O)C(=O)Nc1nncs1.
What is the InChIKey of 2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is VPWCNZNHXUERLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c1-5(2)12(3-6(13)14)8(15)10-7-11-9-4-16-7/h4-5H,3H2,1-2H3,(H,13,14)(H,10,11,15).
What are the key properties of 2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 244.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61192715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).