N-(2,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide

C23H25FN4O3S — CID 1438356

IUPACN-(2,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)c(OC)c1
InChIInChI=1S/C23H25FN4O3S/c1-30-18-7-8-19(21(13-18)31-2)25-22(29)14-27-9-11-28(12-10-27)23-26-20(15-32-23)16-3-5-17(24)6-4-16/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,29)
InChIKeyVNFHKGCDDQWBCK-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.73
Rot. Bonds7

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

N-(2,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide (PubChem CID 1438356) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
PubChem CID1438356
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)c(OC)c1
InChIInChI=1S/C23H25FN4O3S/c1-30-18-7-8-19(21(13-18)31-2)25-22(29)14-27-9-11-28(12-10-27)23-26-20(15-32-23)16-3-5-17(24)6-4-16/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,29)
InChIKeyVNFHKGCDDQWBCK-UHFFFAOYSA-N
XLogP3.73
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-(pyridin-2-yl)-1,3-thiazol-2-amine
CID 972841
N-(2,4-dimethoxyphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 972710
N-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 71478212
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-piperazine-1-carboxylic acid (2-methoxy-phenyl)-amide
CID 651034
N-(4-Methoxy-phenyl)-2-{4-[4-(3-methoxy-phenyl)-thiazol-2-yl]-piperazin-1-yl}-acetamide
CID 1447546
N-(2-ethoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 3223666
2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 164612295
(2S)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 168288776
2-[4-(2-Methoxyphenyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5m)
CID 129625904
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-piperazine-1-carboxylic acid (4-methoxy-phenyl)-amide
CID 647479
N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1299822
N-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 1447258

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide (CID 1438356) is N-(2,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The InChIKey is VNFHKGCDDQWBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c1-30-18-7-8-19(21(13-18)31-2)25-22(29)14-27-9-11-28(12-10-27)23-26-20(15-32-23)16-3-5-17(24)6-4-16/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide has a molecular weight of 456.54 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 1438356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).