2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide

C14H14ClFN2O2S — CID 68623262

IUPAC2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide
SMILESCOCCn1cc(C)s/c1=N/C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H14ClFN2O2S/c1-9-8-18(5-6-20-2)14(21-9)17-13(19)11-4-3-10(16)7-12(11)15/h3-4,7-8H,5-6H2,1-2H3/b17-14+
InChIKeyRCNIKEWGEFIPBM-SAPNQHFASA-N
MW328.80 g/mol
LogP3.04
Rot. Bonds4

About 2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide

2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide (PubChem CID 68623262) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide
PubChem CID68623262
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide
SMILESCOCCn1cc(C)s/c1=N/C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H14ClFN2O2S/c1-9-8-18(5-6-20-2)14(21-9)17-13(19)11-4-3-10(16)7-12(11)15/h3-4,7-8H,5-6H2,1-2H3/b17-14+
InChIKeyRCNIKEWGEFIPBM-SAPNQHFASA-N
XLogP3.04
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide (CID 68623262) is 2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide is COCCn1cc(C)s/c1=N/C(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is RCNIKEWGEFIPBM-SAPNQHFASA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-9-8-18(5-6-20-2)14(21-9)17-13(19)11-4-3-10(16)7-12(11)15/h3-4,7-8H,5-6H2,1-2H3/b17-14+.
What are the key properties of 2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide?
2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 328.80 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 68623262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).