2-amino-1-(5-chlorothiophen-2-yl)-2-(5-methyl-1H-imidazol-4-yl)ethanone

C10H10ClN3OS — CID 69237509

IUPAC2-amino-1-(5-chlorothiophen-2-yl)-2-(5-methyl-1H-imidazol-4-yl)ethanone
SMILESCc1[nH]cnc1C(N)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClN3OS/c1-5-9(14-4-13-5)8(12)10(15)6-2-3-7(11)16-6/h2-4,8H,12H2,1H3,(H,13,14)
InChIKeyJICWIDGZUFCSFK-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.32
Rot. Bonds3

About 2-amino-1-(5-chlorothiophen-2-yl)-2-(5-methyl-1H-imidazol-4-yl)ethanone

2-amino-1-(5-chlorothiophen-2-yl)-2-(5-methyl-1H-imidazol-4-yl)ethanone (PubChem CID 69237509) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 2-amino-1-(5-chlorothiophen-2-yl)-2-(5-methyl-1H-imidazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-chlorothiophen-2-yl)-2-(5-methyl-1H-imidazol-4-yl)ethanone
PubChem CID69237509
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name2-amino-1-(5-chlorothiophen-2-yl)-2-(5-methyl-1H-imidazol-4-yl)ethanone
SMILESCc1[nH]cnc1C(N)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClN3OS/c1-5-9(14-4-13-5)8(12)10(15)6-2-3-7(11)16-6/h2-4,8H,12H2,1H3,(H,13,14)
InChIKeyJICWIDGZUFCSFK-UHFFFAOYSA-N
XLogP2.32
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chlorothiophen-2-yl)-2-(5-methyl-1H-imidazol-4-yl)ethanone?
The IUPAC name of 2-amino-1-(5-chlorothiophen-2-yl)-2-(5-methyl-1H-imidazol-4-yl)ethanone (CID 69237509) is 2-amino-1-(5-chlorothiophen-2-yl)-2-(5-methyl-1H-imidazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(5-chlorothiophen-2-yl)-2-(5-methyl-1H-imidazol-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(5-chlorothiophen-2-yl)-2-(5-methyl-1H-imidazol-4-yl)ethanone is Cc1[nH]cnc1C(N)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-amino-1-(5-chlorothiophen-2-yl)-2-(5-methyl-1H-imidazol-4-yl)ethanone?
The InChIKey is JICWIDGZUFCSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-5-9(14-4-13-5)8(12)10(15)6-2-3-7(11)16-6/h2-4,8H,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-1-(5-chlorothiophen-2-yl)-2-(5-methyl-1H-imidazol-4-yl)ethanone?
2-amino-1-(5-chlorothiophen-2-yl)-2-(5-methyl-1H-imidazol-4-yl)ethanone has a molecular weight of 255.73 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chlorothiophen-2-yl)-2-(5-methyl-1H-imidazol-4-yl)ethanone is sourced from PubChem (CID 69237509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).