N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yloxybenzamide

C24H29FN4O2S — CID 71020397

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc(C(=O)NC2=NCCS2)c1
InChIInChI=1S/C24H29FN4O2S/c1-17(2)31-22-14-18(13-19(15-22)23(30)27-24-26-7-12-32-24)16-28-8-10-29(11-9-28)21-5-3-20(25)4-6-21/h3-6,13-15,17H,7-12,16H2,1-2H3,(H,26,27,30)
InChIKeyACQFDQXEHGEVEL-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.77
Rot. Bonds6

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yloxybenzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yloxybenzamide (PubChem CID 71020397) has the molecular formula C24H29FN4O2S and a molecular weight of 456.59 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yloxybenzamide
PubChem CID71020397
Molecular FormulaC24H29FN4O2S
Molecular Weight456.59 g/mol
Exact Mass456.20
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc(C(=O)NC2=NCCS2)c1
InChIInChI=1S/C24H29FN4O2S/c1-17(2)31-22-14-18(13-19(15-22)23(30)27-24-26-7-12-32-24)16-28-8-10-29(11-9-28)21-5-3-20(25)4-6-21/h3-6,13-15,17H,7-12,16H2,1-2H3,(H,26,27,30)
InChIKeyACQFDQXEHGEVEL-UHFFFAOYSA-N
XLogP3.77
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 59736078
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42850972
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 1394950
N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide
CID 174859465
N-[2-(dimethylamino)ethyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46043620
N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46043618
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
4-fluoro-N-[4-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]phenyl]benzamide
CID 44528282
2-(4-fluorophenyl)-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077726
1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 174368347
N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 11588436
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 4788887

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yloxybenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yloxybenzamide (CID 71020397) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yloxybenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yloxybenzamide is CC(C)Oc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc(C(=O)NC2=NCCS2)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yloxybenzamide?
The InChIKey is ACQFDQXEHGEVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2S/c1-17(2)31-22-14-18(13-19(15-22)23(30)27-24-26-7-12-32-24)16-28-8-10-29(11-9-28)21-5-3-20(25)4-6-21/h3-6,13-15,17H,7-12,16H2,1-2H3,(H,26,27,30).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yloxybenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yloxybenzamide has a molecular weight of 456.59 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yloxybenzamide is sourced from PubChem (CID 71020397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).