2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide

C11H8Cl2FN3OS — CID 107574425

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide
SMILESNc1nc(CC(=O)Nc2cc(Cl)c(F)c(Cl)c2)cs1
InChIInChI=1S/C11H8Cl2FN3OS/c12-7-1-5(2-8(13)10(7)14)16-9(18)3-6-4-19-11(15)17-6/h1-2,4H,3H2,(H2,15,17)(H,16,18)
InChIKeyUGZIAQPDRDNVSP-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.35
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide (PubChem CID 107574425) has the molecular formula C11H8Cl2FN3OS and a molecular weight of 320.18 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide
PubChem CID107574425
Molecular FormulaC11H8Cl2FN3OS
Molecular Weight320.18 g/mol
Exact Mass318.97
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide
SMILESNc1nc(CC(=O)Nc2cc(Cl)c(F)c(Cl)c2)cs1
InChIInChI=1S/C11H8Cl2FN3OS/c12-7-1-5(2-8(13)10(7)14)16-9(18)3-6-4-19-11(15)17-6/h1-2,4H,3H2,(H2,15,17)(H,16,18)
InChIKeyUGZIAQPDRDNVSP-UHFFFAOYSA-N
XLogP3.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-chlorobenzoic acid
CID 62800000
2-(2-amino-1,3-thiazol-4-yl)-N-(3-chlorophenyl)acetamide
CID 55120912
2-(2-amino-1,3-thiazol-4-yl)-N-pyridin-4-ylacetamide
CID 62795383
2-(2-amino-1,3-thiazol-4-yl)-N-thiophen-3-ylacetamide
CID 66351961
2-(2-amino-1,3-thiazol-4-yl)-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727137
2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide
CID 12686359
2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 62799070
2-[4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]phenyl]acetamide
CID 62798897
2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide
CID 62798357
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 55120222
2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide
CID 104723693
2-(2-amino-1,3-thiazol-4-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 62795726

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide (CID 107574425) is 2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide is Nc1nc(CC(=O)Nc2cc(Cl)c(F)c(Cl)c2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide?
The InChIKey is UGZIAQPDRDNVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3OS/c12-7-1-5(2-8(13)10(7)14)16-9(18)3-6-4-19-11(15)17-6/h1-2,4H,3H2,(H2,15,17)(H,16,18).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide has a molecular weight of 320.18 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 107574425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).