2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid

C9H11N3O3S — CID 65214654

IUPAC2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1csnn1
InChIInChI=1S/C9H11N3O3S/c13-8(14)4-12(3-6-1-2-6)9(15)7-5-16-11-10-7/h5-6H,1-4H2,(H,13,14)
InChIKeyZXMJBVVMUTWBSO-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.47
Rot. Bonds5

About 2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid

2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid (PubChem CID 65214654) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid
PubChem CID65214654
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1csnn1
InChIInChI=1S/C9H11N3O3S/c13-8(14)4-12(3-6-1-2-6)9(15)7-5-16-11-10-7/h5-6H,1-4H2,(H,13,14)
InChIKeyZXMJBVVMUTWBSO-UHFFFAOYSA-N
XLogP0.47
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropylmethyl(thiadiazole-4-carbonyl)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-[Thiadiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258130
N-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide
CID 61066554
N-(2-hydroxyethyl)-N-methylthiadiazole-4-carboxamide
CID 61067028
N-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide
CID 61067030
N-ethyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide
CID 61067354
Methyl 2-[methyl(thiadiazole-4-carbonyl)amino]acetate
CID 61693731
4-[Methyl(thiadiazole-4-carbonyl)amino]butanoic acid
CID 62032092
3-Methyl-2-(thiadiazole-4-carbonylamino)butanoic acid
CID 62032607
2-(Thiadiazole-4-carbonylamino)acetic acid
CID 62032785
Ethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate
CID 62071095
Ethyl 2-[propyl(thiadiazole-4-carbonyl)amino]acetate
CID 63101135
Ethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate
CID 63102627

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid (CID 65214654) is 2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)c1csnn1.
What is the InChIKey of 2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid?
The InChIKey is ZXMJBVVMUTWBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c13-8(14)4-12(3-6-1-2-6)9(15)7-5-16-11-10-7/h5-6H,1-4H2,(H,13,14).
What are the key properties of 2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid?
2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid has a molecular weight of 241.27 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 65214654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).