3-chloro-5-(3-fluoro-5-methoxyanilino)-1,2-thiazole-4-carbonitrile

C11H7ClFN3OS — CID 133430315

IUPAC3-chloro-5-(3-fluoro-5-methoxyanilino)-1,2-thiazole-4-carbonitrile
SMILESCOc1cc(F)cc(Nc2snc(Cl)c2C#N)c1
InChIInChI=1S/C11H7ClFN3OS/c1-17-8-3-6(13)2-7(4-8)15-11-9(5-14)10(12)16-18-11/h2-4,15H,1H3
InChIKeyMXNZNDGSTXRHQH-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.56
Rot. Bonds3

About 3-chloro-5-(3-fluoro-5-methoxyanilino)-1,2-thiazole-4-carbonitrile

3-chloro-5-(3-fluoro-5-methoxyanilino)-1,2-thiazole-4-carbonitrile (PubChem CID 133430315) has the molecular formula C11H7ClFN3OS and a molecular weight of 283.72 g/mol. Its IUPAC name is 3-chloro-5-(3-fluoro-5-methoxyanilino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(3-fluoro-5-methoxyanilino)-1,2-thiazole-4-carbonitrile
PubChem CID133430315
Molecular FormulaC11H7ClFN3OS
Molecular Weight283.72 g/mol
Exact Mass283.00
IUPAC Name3-chloro-5-(3-fluoro-5-methoxyanilino)-1,2-thiazole-4-carbonitrile
SMILESCOc1cc(F)cc(Nc2snc(Cl)c2C#N)c1
InChIInChI=1S/C11H7ClFN3OS/c1-17-8-3-6(13)2-7(4-8)15-11-9(5-14)10(12)16-18-11/h2-4,15H,1H3
InChIKeyMXNZNDGSTXRHQH-UHFFFAOYSA-N
XLogP3.56
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-fluoro-5-methoxyanilino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-(3-fluoro-5-methoxyanilino)-1,2-thiazole-4-carbonitrile (CID 133430315) is 3-chloro-5-(3-fluoro-5-methoxyanilino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(3-fluoro-5-methoxyanilino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(3-fluoro-5-methoxyanilino)-1,2-thiazole-4-carbonitrile is COc1cc(F)cc(Nc2snc(Cl)c2C#N)c1.
What is the InChIKey of 3-chloro-5-(3-fluoro-5-methoxyanilino)-1,2-thiazole-4-carbonitrile?
The InChIKey is MXNZNDGSTXRHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3OS/c1-17-8-3-6(13)2-7(4-8)15-11-9(5-14)10(12)16-18-11/h2-4,15H,1H3.
What are the key properties of 3-chloro-5-(3-fluoro-5-methoxyanilino)-1,2-thiazole-4-carbonitrile?
3-chloro-5-(3-fluoro-5-methoxyanilino)-1,2-thiazole-4-carbonitrile has a molecular weight of 283.72 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-fluoro-5-methoxyanilino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133430315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).