N-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C20H19FN2OS2 — CID 4859034

IUPACN-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2ccccc2F)cs1
InChIInChI=1S/C20H19FN2OS2/c1-13-8-9-17(10-14(13)2)23(15(3)24)20-22-16(12-26-20)11-25-19-7-5-4-6-18(19)21/h4-10,12H,11H2,1-3H3
InChIKeyPJAYBFGMTNSYMW-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.88
Rot. Bonds5

About N-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

N-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 4859034) has the molecular formula C20H19FN2OS2 and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID4859034
Molecular FormulaC20H19FN2OS2
Molecular Weight386.52 g/mol
Exact Mass386.09
IUPAC NameN-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2ccccc2F)cs1
InChIInChI=1S/C20H19FN2OS2/c1-13-8-9-17(10-14(13)2)23(15(3)24)20-22-16(12-26-20)11-25-19-7-5-4-6-18(19)21/h4-10,12H,11H2,1-3H3
InChIKeyPJAYBFGMTNSYMW-UHFFFAOYSA-N
XLogP5.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 4859034) is N-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2ccccc2F)cs1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PJAYBFGMTNSYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS2/c1-13-8-9-17(10-14(13)2)23(15(3)24)20-22-16(12-26-20)11-25-19-7-5-4-6-18(19)21/h4-10,12H,11H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 4859034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).