5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole

C20H28N4OS — CID 95715521

IUPAC5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
SMILESCOc1ccccc1N1CCN(Cc2cnc(N3CCCC3)s2)[C@H](C)C1
InChIInChI=1S/C20H28N4OS/c1-16-14-24(18-7-3-4-8-19(18)25-2)12-11-23(16)15-17-13-21-20(26-17)22-9-5-6-10-22/h3-4,7-8,13,16H,5-6,9-12,14-15H2,1-2H3/t16-/m1/s1
InChIKeyIAAOEEFBVVPXDZ-MRXNPFEDSA-N
MW372.54 g/mol
LogP3.46
Rot. Bonds5

About 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole

5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 95715521) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
PubChem CID95715521
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
SMILESCOc1ccccc1N1CCN(Cc2cnc(N3CCCC3)s2)[C@H](C)C1
InChIInChI=1S/C20H28N4OS/c1-16-14-24(18-7-3-4-8-19(18)25-2)12-11-23(16)15-17-13-21-20(26-17)22-9-5-6-10-22/h3-4,7-8,13,16H,5-6,9-12,14-15H2,1-2H3/t16-/m1/s1
InChIKeyIAAOEEFBVVPXDZ-MRXNPFEDSA-N
XLogP3.46
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine
CID 56909683
5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline
CID 95719113
4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56897135
2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid
CID 95721987
1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
CID 59648018
2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine
CID 56704337
5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole
CID 118472763
methyl 4-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]benzoate
CID 120899411
4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 92626570
2-(2-methoxyphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79930320
4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole
CID 70809648
1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole (CID 95715521) is 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole is COc1ccccc1N1CCN(Cc2cnc(N3CCCC3)s2)[C@H](C)C1.
What is the InChIKey of 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is IAAOEEFBVVPXDZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-16-14-24(18-7-3-4-8-19(18)25-2)12-11-23(16)15-17-13-21-20(26-17)22-9-5-6-10-22/h3-4,7-8,13,16H,5-6,9-12,14-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 372.54 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 95715521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).