N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine

C33H29N5S2 — CID 134241887

IUPACN-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine
SMILESc1ccc(CCNc2nc(-c3ccc(-c4cccc(CCNc5nc(-c6cccnc6)cs5)c4)cc3)cs2)cc1
InChIInChI=1S/C33H29N5S2/c1-2-6-24(7-3-1)15-18-35-32-37-30(22-39-32)27-13-11-26(12-14-27)28-9-4-8-25(20-28)16-19-36-33-38-31(23-40-33)29-10-5-17-34-21-29/h1-14,17,20-23H,15-16,18-19H2,(H,35,37)(H,36,38)
InChIKeyCGJIPYNIZBMTFY-UHFFFAOYSA-N
MW559.76 g/mol
LogP8.30
Rot. Bonds11

About N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine

N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine (PubChem CID 134241887) has the molecular formula C33H29N5S2 and a molecular weight of 559.76 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine
PubChem CID134241887
Molecular FormulaC33H29N5S2
Molecular Weight559.76 g/mol
Exact Mass559.19
IUPAC NameN-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine
SMILESc1ccc(CCNc2nc(-c3ccc(-c4cccc(CCNc5nc(-c6cccnc6)cs5)c4)cc3)cs2)cc1
InChIInChI=1S/C33H29N5S2/c1-2-6-24(7-3-1)15-18-35-32-37-30(22-39-32)27-13-11-26(12-14-27)28-9-4-8-25(20-28)16-19-36-33-38-31(23-40-33)29-10-5-17-34-21-29/h1-14,17,20-23H,15-16,18-19H2,(H,35,37)(H,36,38)
InChIKeyCGJIPYNIZBMTFY-UHFFFAOYSA-N
XLogP8.30
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.76
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791260
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CID 134241813
4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzene-1,2-diol
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N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 23143279
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N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910960
1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
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CID 8750316
N-[(5-fluoro-3-pyridinyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 166341288
N-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide
CID 87929254
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine (CID 134241887) is N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine is c1ccc(CCNc2nc(-c3ccc(-c4cccc(CCNc5nc(-c6cccnc6)cs5)c4)cc3)cs2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is CGJIPYNIZBMTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N5S2/c1-2-6-24(7-3-1)15-18-35-32-37-30(22-39-32)27-13-11-26(12-14-27)28-9-4-8-25(20-28)16-19-36-33-38-31(23-40-33)29-10-5-17-34-21-29/h1-14,17,20-23H,15-16,18-19H2,(H,35,37)(H,36,38).
What are the key properties of N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine?
N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 559.76 g/mol, XLogP of 8.30, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 134241887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).