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

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Related Compounds

2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 43655885
2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid
CID 43655872
N,N-diethylthiadiazole-4-carboxamide
CID 60757863
N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide
CID 65216327
2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 43655583
2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 43655080
2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid
CID 43655931
2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 107729298
2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid
CID 114913453
2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 63850971
2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697177
2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid
CID 81360931

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).