N-[4-[1-[2-amino-5-(1,3-thiazol-2-yl)anilino]ethenyl]phenyl]acetamide

C19H18N4OS — CID 70336057

IUPACN-[4-[1-[2-amino-5-(1,3-thiazol-2-yl)anilino]ethenyl]phenyl]acetamide
SMILESC=C(Nc1cc(-c2nccs2)ccc1N)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H18N4OS/c1-12(14-3-6-16(7-4-14)23-13(2)24)22-18-11-15(5-8-17(18)20)19-21-9-10-25-19/h3-11,22H,1,20H2,2H3,(H,23,24)
InChIKeyHROZIYQAGLWODQ-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.43
Rot. Bonds5

About N-[4-[1-[2-amino-5-(1,3-thiazol-2-yl)anilino]ethenyl]phenyl]acetamide

N-[4-[1-[2-amino-5-(1,3-thiazol-2-yl)anilino]ethenyl]phenyl]acetamide (PubChem CID 70336057) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-[4-[1-[2-amino-5-(1,3-thiazol-2-yl)anilino]ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[2-amino-5-(1,3-thiazol-2-yl)anilino]ethenyl]phenyl]acetamide
PubChem CID70336057
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-[4-[1-[2-amino-5-(1,3-thiazol-2-yl)anilino]ethenyl]phenyl]acetamide
SMILESC=C(Nc1cc(-c2nccs2)ccc1N)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H18N4OS/c1-12(14-3-6-16(7-4-14)23-13(2)24)22-18-11-15(5-8-17(18)20)19-21-9-10-25-19/h3-11,22H,1,20H2,2H3,(H,23,24)
InChIKeyHROZIYQAGLWODQ-UHFFFAOYSA-N
XLogP4.43
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2-amino-5-(1,3-thiazol-2-yl)anilino]ethenyl]phenyl]acetamide?
The IUPAC name of N-[4-[1-[2-amino-5-(1,3-thiazol-2-yl)anilino]ethenyl]phenyl]acetamide (CID 70336057) is N-[4-[1-[2-amino-5-(1,3-thiazol-2-yl)anilino]ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-[2-amino-5-(1,3-thiazol-2-yl)anilino]ethenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-[2-amino-5-(1,3-thiazol-2-yl)anilino]ethenyl]phenyl]acetamide is C=C(Nc1cc(-c2nccs2)ccc1N)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[1-[2-amino-5-(1,3-thiazol-2-yl)anilino]ethenyl]phenyl]acetamide?
The InChIKey is HROZIYQAGLWODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-12(14-3-6-16(7-4-14)23-13(2)24)22-18-11-15(5-8-17(18)20)19-21-9-10-25-19/h3-11,22H,1,20H2,2H3,(H,23,24).
What are the key properties of N-[4-[1-[2-amino-5-(1,3-thiazol-2-yl)anilino]ethenyl]phenyl]acetamide?
N-[4-[1-[2-amino-5-(1,3-thiazol-2-yl)anilino]ethenyl]phenyl]acetamide has a molecular weight of 350.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-amino-5-(1,3-thiazol-2-yl)anilino]ethenyl]phenyl]acetamide is sourced from PubChem (CID 70336057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).