2-amino-5-[2-(4-chloroanilino)ethyl]-1,3-thiazol-4-one

C11H12ClN3OS — CID 11357701

IUPAC2-amino-5-[2-(4-chloroanilino)ethyl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(CCNc2ccc(Cl)cc2)S1
InChIInChI=1S/C11H12ClN3OS/c12-7-1-3-8(4-2-7)14-6-5-9-10(16)15-11(13)17-9/h1-4,9,14H,5-6H2,(H2,13,15,16)
InChIKeyOUOXVHQCDGKLTQ-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.10
Rot. Bonds4

About 2-amino-5-[2-(4-chloroanilino)ethyl]-1,3-thiazol-4-one

2-amino-5-[2-(4-chloroanilino)ethyl]-1,3-thiazol-4-one (PubChem CID 11357701) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 2-amino-5-[2-(4-chloroanilino)ethyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-[2-(4-chloroanilino)ethyl]-1,3-thiazol-4-one
PubChem CID11357701
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name2-amino-5-[2-(4-chloroanilino)ethyl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(CCNc2ccc(Cl)cc2)S1
InChIInChI=1S/C11H12ClN3OS/c12-7-1-3-8(4-2-7)14-6-5-9-10(16)15-11(13)17-9/h1-4,9,14H,5-6H2,(H2,13,15,16)
InChIKeyOUOXVHQCDGKLTQ-UHFFFAOYSA-N
XLogP2.10
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(4-chloroanilino)ethyl]-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-[2-(4-chloroanilino)ethyl]-1,3-thiazol-4-one (CID 11357701) is 2-amino-5-[2-(4-chloroanilino)ethyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-[2-(4-chloroanilino)ethyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-[2-(4-chloroanilino)ethyl]-1,3-thiazol-4-one is NC1=NC(=O)C(CCNc2ccc(Cl)cc2)S1.
What is the InChIKey of 2-amino-5-[2-(4-chloroanilino)ethyl]-1,3-thiazol-4-one?
The InChIKey is OUOXVHQCDGKLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c12-7-1-3-8(4-2-7)14-6-5-9-10(16)15-11(13)17-9/h1-4,9,14H,5-6H2,(H2,13,15,16).
What are the key properties of 2-amino-5-[2-(4-chloroanilino)ethyl]-1,3-thiazol-4-one?
2-amino-5-[2-(4-chloroanilino)ethyl]-1,3-thiazol-4-one has a molecular weight of 269.76 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(4-chloroanilino)ethyl]-1,3-thiazol-4-one is sourced from PubChem (CID 11357701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).