1-[2-[(4-ethylthiadiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid

C11H13N5O3S — CID 107496809

IUPAC1-[2-[(4-ethylthiadiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESCCc1nnsc1C(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C11H13N5O3S/c1-2-7-9(20-15-14-7)10(17)12-3-4-16-5-8(11(18)19)13-6-16/h5-6H,2-4H2,1H3,(H,12,17)(H,18,19)
InChIKeyOPVMWFCKSMBYFX-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.43
Rot. Bonds6

About 1-[2-[(4-ethylthiadiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid

1-[2-[(4-ethylthiadiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107496809) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 1-[2-[(4-ethylthiadiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-ethylthiadiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107496809
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name1-[2-[(4-ethylthiadiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESCCc1nnsc1C(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C11H13N5O3S/c1-2-7-9(20-15-14-7)10(17)12-3-4-16-5-8(11(18)19)13-6-16/h5-6H,2-4H2,1H3,(H,12,17)(H,18,19)
InChIKeyOPVMWFCKSMBYFX-UHFFFAOYSA-N
XLogP0.43
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-ethylthiadiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(4-ethylthiadiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (CID 107496809) is 1-[2-[(4-ethylthiadiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-ethylthiadiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(4-ethylthiadiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is CCc1nnsc1C(=O)NCCn1cnc(C(=O)O)c1.
What is the InChIKey of 1-[2-[(4-ethylthiadiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is OPVMWFCKSMBYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-2-7-9(20-15-14-7)10(17)12-3-4-16-5-8(11(18)19)13-6-16/h5-6H,2-4H2,1H3,(H,12,17)(H,18,19).
What are the key properties of 1-[2-[(4-ethylthiadiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[(4-ethylthiadiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 295.32 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-ethylthiadiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107496809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).