[4-methyl-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperazin-2-yl]methanol

C27H30N4OS — CID 71813670

IUPAC[4-methyl-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperazin-2-yl]methanol
SMILESCN1CCN(CCc2ccc(Nc3nc(-c4ccc5ccccc5c4)cs3)cc2)C(CO)C1
InChIInChI=1S/C27H30N4OS/c1-30-14-15-31(25(17-30)18-32)13-12-20-6-10-24(11-7-20)28-27-29-26(19-33-27)23-9-8-21-4-2-3-5-22(21)16-23/h2-11,16,19,25,32H,12-15,17-18H2,1H3,(H,28,29)
InChIKeySWAMPJYZRSFGGO-UHFFFAOYSA-N
MW458.63 g/mol
LogP4.86
Rot. Bonds7

About [4-methyl-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperazin-2-yl]methanol

[4-methyl-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperazin-2-yl]methanol (PubChem CID 71813670) has the molecular formula C27H30N4OS and a molecular weight of 458.63 g/mol. Its IUPAC name is [4-methyl-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-methyl-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperazin-2-yl]methanol
PubChem CID71813670
Molecular FormulaC27H30N4OS
Molecular Weight458.63 g/mol
Exact Mass458.21
IUPAC Name[4-methyl-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperazin-2-yl]methanol
SMILESCN1CCN(CCc2ccc(Nc3nc(-c4ccc5ccccc5c4)cs3)cc2)C(CO)C1
InChIInChI=1S/C27H30N4OS/c1-30-14-15-31(25(17-30)18-32)13-12-20-6-10-24(11-7-20)28-27-29-26(19-33-27)23-9-8-21-4-2-3-5-22(21)16-23/h2-11,16,19,25,32H,12-15,17-18H2,1H3,(H,28,29)
InChIKeySWAMPJYZRSFGGO-UHFFFAOYSA-N
XLogP4.86
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperazin-2-yl]methanol?
The IUPAC name of [4-methyl-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperazin-2-yl]methanol (CID 71813670) is [4-methyl-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperazin-2-yl]methanol.
What is the SMILES notation for [4-methyl-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperazin-2-yl]methanol?
The canonical SMILES for [4-methyl-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperazin-2-yl]methanol is CN1CCN(CCc2ccc(Nc3nc(-c4ccc5ccccc5c4)cs3)cc2)C(CO)C1.
What is the InChIKey of [4-methyl-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperazin-2-yl]methanol?
The InChIKey is SWAMPJYZRSFGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4OS/c1-30-14-15-31(25(17-30)18-32)13-12-20-6-10-24(11-7-20)28-27-29-26(19-33-27)23-9-8-21-4-2-3-5-22(21)16-23/h2-11,16,19,25,32H,12-15,17-18H2,1H3,(H,28,29).
What are the key properties of [4-methyl-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperazin-2-yl]methanol?
[4-methyl-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperazin-2-yl]methanol has a molecular weight of 458.63 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperazin-2-yl]methanol is sourced from PubChem (CID 71813670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).