N-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide

C19H16F2N2O2S — CID 46948616

IUPACN-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCOc1ccccc1-c1csc(C(NC(C)=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C19H16F2N2O2S/c1-11(24)22-18(12-7-8-14(20)15(21)9-12)19-23-16(10-26-19)13-5-3-4-6-17(13)25-2/h3-10,18H,1-2H3,(H,22,24)
InChIKeySFTCPYYJJVJWRG-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.32
Rot. Bonds5

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

N-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 46948616) has the molecular formula C19H16F2N2O2S and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID46948616
Molecular FormulaC19H16F2N2O2S
Molecular Weight374.41 g/mol
Exact Mass374.09
IUPAC NameN-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCOc1ccccc1-c1csc(C(NC(C)=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C19H16F2N2O2S/c1-11(24)22-18(12-7-8-14(20)15(21)9-12)19-23-16(10-26-19)13-5-3-4-6-17(13)25-2/h3-10,18H,1-2H3,(H,22,24)
InChIKeySFTCPYYJJVJWRG-UHFFFAOYSA-N
XLogP4.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of N-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide (CID 46948616) is N-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide is COc1ccccc1-c1csc(C(NC(C)=O)c2ccc(F)c(F)c2)n1.
What is the InChIKey of N-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is SFTCPYYJJVJWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S/c1-11(24)22-18(12-7-8-14(20)15(21)9-12)19-23-16(10-26-19)13-5-3-4-6-17(13)25-2/h3-10,18H,1-2H3,(H,22,24).
What are the key properties of N-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide?
N-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 374.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 46948616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).