N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine

C21H23N3S — CID 58910960

IUPACN-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
SMILESc1ccc(CCNc2nc(-c3ccc(N4CCCC4)cc3)cs2)cc1
InChIInChI=1S/C21H23N3S/c1-2-6-17(7-3-1)12-13-22-21-23-20(16-25-21)18-8-10-19(11-9-18)24-14-4-5-15-24/h1-3,6-11,16H,4-5,12-15H2,(H,22,23)
InChIKeyNPOSQMZFYNFOHZ-UHFFFAOYSA-N
MW349.50 g/mol
LogP5.06
Rot. Bonds6

About N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine

N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 58910960) has the molecular formula C21H23N3S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
PubChem CID58910960
Molecular FormulaC21H23N3S
Molecular Weight349.50 g/mol
Exact Mass349.16
IUPAC NameN-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
SMILESc1ccc(CCNc2nc(-c3ccc(N4CCCC4)cc3)cs2)cc1
InChIInChI=1S/C21H23N3S/c1-2-6-17(7-3-1)12-13-22-21-23-20(16-25-21)18-8-10-19(11-9-18)24-14-4-5-15-24/h1-3,6-11,16H,4-5,12-15H2,(H,22,23)
InChIKeyNPOSQMZFYNFOHZ-UHFFFAOYSA-N
XLogP5.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 58910616
4-[2-(2-pyridin-3-ylethylamino)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 134385028
N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 23143279
N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088623
4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 892965
N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59429751
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
N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750316
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 134126795
4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 2470553
4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 10150294
2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 134081933

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine (CID 58910960) is N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine is c1ccc(CCNc2nc(-c3ccc(N4CCCC4)cc3)cs2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is NPOSQMZFYNFOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3S/c1-2-6-17(7-3-1)12-13-22-21-23-20(16-25-21)18-8-10-19(11-9-18)24-14-4-5-15-24/h1-3,6-11,16H,4-5,12-15H2,(H,22,23).
What are the key properties of N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 349.50 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58910960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).