N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide

C22H23FN4O2S — CID 71840393

IUPACN-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(N2CCN(c3nc(C(=O)NCc4cccc(F)c4)cs3)CC2)c1
InChIInChI=1S/C22H23FN4O2S/c1-29-19-7-3-6-18(13-19)26-8-10-27(11-9-26)22-25-20(15-30-22)21(28)24-14-16-4-2-5-17(23)12-16/h2-7,12-13,15H,8-11,14H2,1H3,(H,24,28)
InChIKeyMTEFUWAIEVEENO-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.55
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide

N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 71840393) has the molecular formula C22H23FN4O2S and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID71840393
Molecular FormulaC22H23FN4O2S
Molecular Weight426.52 g/mol
Exact Mass426.15
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(N2CCN(c3nc(C(=O)NCc4cccc(F)c4)cs3)CC2)c1
InChIInChI=1S/C22H23FN4O2S/c1-29-19-7-3-6-18(13-19)26-8-10-27(11-9-26)22-25-20(15-30-22)21(28)24-14-16-4-2-5-17(23)12-16/h2-7,12-13,15H,8-11,14H2,1H3,(H,24,28)
InChIKeyMTEFUWAIEVEENO-UHFFFAOYSA-N
XLogP3.55
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161069
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53161077
N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161039
N-(furan-2-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71830078
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 71840362
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 71840401
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 71840357
N-[(3-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42690905
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377643
2-(3-fluorophenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372637
N-[(4-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161103
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200939

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide (CID 71840393) is N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide is COc1cccc(N2CCN(c3nc(C(=O)NCc4cccc(F)c4)cs3)CC2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is MTEFUWAIEVEENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2S/c1-29-19-7-3-6-18(13-19)26-8-10-27(11-9-26)22-25-20(15-30-22)21(28)24-14-16-4-2-5-17(23)12-16/h2-7,12-13,15H,8-11,14H2,1H3,(H,24,28).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71840393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).