N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide

C19H17FN2O2S — CID 46943638

IUPACN-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
SMILESCOc1cc(F)ccc1-c1csc(C(NC(C)=O)c2ccccc2)n1
InChIInChI=1S/C19H17FN2O2S/c1-12(23)21-18(13-6-4-3-5-7-13)19-22-16(11-25-19)15-9-8-14(20)10-17(15)24-2/h3-11,18H,1-2H3,(H,21,23)
InChIKeyIBSINTNSLSQFSE-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.18
Rot. Bonds5

About N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide

N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide (PubChem CID 46943638) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide.

Molecular Properties

Compound NameN-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
PubChem CID46943638
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC NameN-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
SMILESCOc1cc(F)ccc1-c1csc(C(NC(C)=O)c2ccccc2)n1
InChIInChI=1S/C19H17FN2O2S/c1-12(23)21-18(13-6-4-3-5-7-13)19-22-16(11-25-19)15-9-8-14(20)10-17(15)24-2/h3-11,18H,1-2H3,(H,21,23)
InChIKeyIBSINTNSLSQFSE-UHFFFAOYSA-N
XLogP4.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide?
The IUPAC name of N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide (CID 46943638) is N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide.
What is the SMILES notation for N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide?
The canonical SMILES for N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide is COc1cc(F)ccc1-c1csc(C(NC(C)=O)c2ccccc2)n1.
What is the InChIKey of N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide?
The InChIKey is IBSINTNSLSQFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-12(23)21-18(13-6-4-3-5-7-13)19-22-16(11-25-19)15-9-8-14(20)10-17(15)24-2/h3-11,18H,1-2H3,(H,21,23).
What are the key properties of N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide?
N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide has a molecular weight of 356.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide is sourced from PubChem (CID 46943638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).