3-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide

C19H16ClFN2OS — CID 7207722

IUPAC3-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClFN2OS/c1-12-17(25-19(23-12)13-5-7-16(21)8-6-13)9-10-22-18(24)14-3-2-4-15(20)11-14/h2-8,11H,9-10H2,1H3,(H,22,24)
InChIKeyBAXYOCZJKLDLLH-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.88
Rot. Bonds5

About 3-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide

3-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide (PubChem CID 7207722) has the molecular formula C19H16ClFN2OS and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
PubChem CID7207722
Molecular FormulaC19H16ClFN2OS
Molecular Weight374.87 g/mol
Exact Mass374.07
IUPAC Name3-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClFN2OS/c1-12-17(25-19(23-12)13-5-7-16(21)8-6-13)9-10-22-18(24)14-3-2-4-15(20)11-14/h2-8,11H,9-10H2,1H3,(H,22,24)
InChIKeyBAXYOCZJKLDLLH-UHFFFAOYSA-N
XLogP4.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide (CID 7207722) is 3-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide is Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The InChIKey is BAXYOCZJKLDLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2OS/c1-12-17(25-19(23-12)13-5-7-16(21)8-6-13)9-10-22-18(24)14-3-2-4-15(20)11-14/h2-8,11H,9-10H2,1H3,(H,22,24).
What are the key properties of 3-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
3-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide has a molecular weight of 374.87 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 7207722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).