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

C14H15N3O3S — CID 60829755

IUPAC2-[1-[(3-methylthiophene-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCc1ccsc1C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C14H15N3O3S/c1-8-3-6-21-10(8)11(18)17-14(4-2-5-14)13-15-7-9(16-13)12(19)20/h3,6-7H,2,4-5H2,1H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyHJSAGVVRBQPGRN-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.29
Rot. Bonds4

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

2-[1-[(3-methylthiophene-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid (PubChem CID 60829755) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[1-[(3-methylthiophene-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(3-methylthiophene-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
PubChem CID60829755
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[1-[(3-methylthiophene-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCc1ccsc1C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C14H15N3O3S/c1-8-3-6-21-10(8)11(18)17-14(4-2-5-14)13-15-7-9(16-13)12(19)20/h3,6-7H,2,4-5H2,1H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyHJSAGVVRBQPGRN-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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Related Compounds

2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 79815144
2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid
CID 60828087
2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60829408
2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60827601
2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61183362
2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 103018340
2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid
CID 61146796
2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61197671
2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60828908
2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 107937794
1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341633
2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61169033

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylthiophene-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[1-[(3-methylthiophene-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid (CID 60829755) is 2-[1-[(3-methylthiophene-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-[(3-methylthiophene-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[1-[(3-methylthiophene-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid is Cc1ccsc1C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1.
What is the InChIKey of 2-[1-[(3-methylthiophene-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is HJSAGVVRBQPGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-3-6-21-10(8)11(18)17-14(4-2-5-14)13-15-7-9(16-13)12(19)20/h3,6-7H,2,4-5H2,1H3,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 2-[1-[(3-methylthiophene-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
2-[1-[(3-methylthiophene-2-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-[(3-methylthiophene-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 60829755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).