2-amino-5-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-3,5-dimethylimidazol-4-one

C14H13ClN4OS — CID 70134790

IUPAC2-amino-5-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-3,5-dimethylimidazol-4-one
SMILESCN1C(=O)C(C)(c2cc(-c3cncc(Cl)c3)cs2)N=C1N
InChIInChI=1S/C14H13ClN4OS/c1-14(12(20)19(2)13(16)18-14)11-4-9(7-21-11)8-3-10(15)6-17-5-8/h3-7H,1-2H3,(H2,16,18)
InChIKeyUHVFYLMZIZJECK-UHFFFAOYSA-N
MW320.81 g/mol
LogP2.47
Rot. Bonds2

About 2-amino-5-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-3,5-dimethylimidazol-4-one

2-amino-5-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-3,5-dimethylimidazol-4-one (PubChem CID 70134790) has the molecular formula C14H13ClN4OS and a molecular weight of 320.81 g/mol. Its IUPAC name is 2-amino-5-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-3,5-dimethylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-3,5-dimethylimidazol-4-one
PubChem CID70134790
Molecular FormulaC14H13ClN4OS
Molecular Weight320.81 g/mol
Exact Mass320.05
IUPAC Name2-amino-5-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-3,5-dimethylimidazol-4-one
SMILESCN1C(=O)C(C)(c2cc(-c3cncc(Cl)c3)cs2)N=C1N
InChIInChI=1S/C14H13ClN4OS/c1-14(12(20)19(2)13(16)18-14)11-4-9(7-21-11)8-3-10(15)6-17-5-8/h3-7H,1-2H3,(H2,16,18)
InChIKeyUHVFYLMZIZJECK-UHFFFAOYSA-N
XLogP2.47
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-3,5-dimethylimidazol-4-one?
The IUPAC name of 2-amino-5-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-3,5-dimethylimidazol-4-one (CID 70134790) is 2-amino-5-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-3,5-dimethylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-3,5-dimethylimidazol-4-one?
The canonical SMILES for 2-amino-5-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-3,5-dimethylimidazol-4-one is CN1C(=O)C(C)(c2cc(-c3cncc(Cl)c3)cs2)N=C1N.
What is the InChIKey of 2-amino-5-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-3,5-dimethylimidazol-4-one?
The InChIKey is UHVFYLMZIZJECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4OS/c1-14(12(20)19(2)13(16)18-14)11-4-9(7-21-11)8-3-10(15)6-17-5-8/h3-7H,1-2H3,(H2,16,18).
What are the key properties of 2-amino-5-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-3,5-dimethylimidazol-4-one?
2-amino-5-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-3,5-dimethylimidazol-4-one has a molecular weight of 320.81 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(5-chloro-3-pyridinyl)thiophen-2-yl]-3,5-dimethylimidazol-4-one is sourced from PubChem (CID 70134790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).