2-[1-[(4-methylthiadiazole-5-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid

C12H13N5O3S — CID 60828089

IUPAC2-[1-[(4-methylthiadiazole-5-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCc1nnsc1C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C12H13N5O3S/c1-6-8(21-17-16-6)9(18)15-12(3-2-4-12)11-13-5-7(14-11)10(19)20/h5H,2-4H2,1H3,(H,13,14)(H,15,18)(H,19,20)
InChIKeyMJLFYJPNYRRVEG-UHFFFAOYSA-N
MW307.34 g/mol
LogP1.08
Rot. Bonds4

About 2-[1-[(4-methylthiadiazole-5-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid

2-[1-[(4-methylthiadiazole-5-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid (PubChem CID 60828089) has the molecular formula C12H13N5O3S and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-[1-[(4-methylthiadiazole-5-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(4-methylthiadiazole-5-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
PubChem CID60828089
Molecular FormulaC12H13N5O3S
Molecular Weight307.34 g/mol
Exact Mass307.07
IUPAC Name2-[1-[(4-methylthiadiazole-5-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCc1nnsc1C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C12H13N5O3S/c1-6-8(21-17-16-6)9(18)15-12(3-2-4-12)11-13-5-7(14-11)10(19)20/h5H,2-4H2,1H3,(H,13,14)(H,15,18)(H,19,20)
InChIKeyMJLFYJPNYRRVEG-UHFFFAOYSA-N
XLogP1.08
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylthiadiazole-5-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[1-[(4-methylthiadiazole-5-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid (CID 60828089) is 2-[1-[(4-methylthiadiazole-5-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-[(4-methylthiadiazole-5-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[1-[(4-methylthiadiazole-5-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid is Cc1nnsc1C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1.
What is the InChIKey of 2-[1-[(4-methylthiadiazole-5-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is MJLFYJPNYRRVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S/c1-6-8(21-17-16-6)9(18)15-12(3-2-4-12)11-13-5-7(14-11)10(19)20/h5H,2-4H2,1H3,(H,13,14)(H,15,18)(H,19,20).
What are the key properties of 2-[1-[(4-methylthiadiazole-5-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
2-[1-[(4-methylthiadiazole-5-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 307.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylthiadiazole-5-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 60828089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).