2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid

C14H15N3O3S — CID 79815144

IUPAC2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCc1cscc1C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C14H15N3O3S/c1-8-6-21-7-9(8)11(18)17-14(3-2-4-14)13-15-5-10(16-13)12(19)20/h5-7H,2-4H2,1H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyRZPCJPSNXWLHTC-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.29
Rot. Bonds4

About 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid

2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid (PubChem CID 79815144) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
PubChem CID79815144
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCc1cscc1C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C14H15N3O3S/c1-8-6-21-7-9(8)11(18)17-14(3-2-4-14)13-15-5-10(16-13)12(19)20/h5-7H,2-4H2,1H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyRZPCJPSNXWLHTC-UHFFFAOYSA-N
XLogP2.29
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid (CID 79815144) is 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid is Cc1cscc1C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1.
What is the InChIKey of 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is RZPCJPSNXWLHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-6-21-7-9(8)11(18)17-14(3-2-4-14)13-15-5-10(16-13)12(19)20/h5-7H,2-4H2,1H3,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 79815144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).