5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine

C20H22N4S — CID 71479411

IUPAC5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(Nc3cc(CCC4CCCN4)ccn3)s2)cc1
InChIInChI=1S/C20H22N4S/c1-2-5-16(6-3-1)18-14-23-20(25-18)24-19-13-15(10-12-22-19)8-9-17-7-4-11-21-17/h1-3,5-6,10,12-14,17,21H,4,7-9,11H2,(H,22,23,24)
InChIKeyIZAIMPHQNRCJPJ-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.63
Rot. Bonds6

About 5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine

5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 71479411) has the molecular formula C20H22N4S and a molecular weight of 350.49 g/mol. Its IUPAC name is 5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID71479411
Molecular FormulaC20H22N4S
Molecular Weight350.49 g/mol
Exact Mass350.16
IUPAC Name5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(Nc3cc(CCC4CCCN4)ccn3)s2)cc1
InChIInChI=1S/C20H22N4S/c1-2-5-16(6-3-1)18-14-23-20(25-18)24-19-13-15(10-12-22-19)8-9-17-7-4-11-21-17/h1-3,5-6,10,12-14,17,21H,4,7-9,11H2,(H,22,23,24)
InChIKeyIZAIMPHQNRCJPJ-UHFFFAOYSA-N
XLogP4.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
CID 171687495
5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride
CID 171699913
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
N-(5-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 119287690
5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 129247013
N-[4-(2-piperidin-3-ylethyl)-2-pyridinyl]pyrazin-2-amine;hydrochloride
CID 71298941
N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 100664633
2-[2-(3-isothiocyanatophenyl)ethyl]pyrrolidine
CID 87889178
2-(2-pyridin-4-ylethyl)azepane
CID 104703875
4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 24936245
2-[2-(3-propoxyphenyl)ethyl]piperidine
CID 62497478
[3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol
CID 132771016

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 71479411) is 5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine is c1ccc(-c2cnc(Nc3cc(CCC4CCCN4)ccn3)s2)cc1.
What is the InChIKey of 5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is IZAIMPHQNRCJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4S/c1-2-5-16(6-3-1)18-14-23-20(25-18)24-19-13-15(10-12-22-19)8-9-17-7-4-11-21-17/h1-3,5-6,10,12-14,17,21H,4,7-9,11H2,(H,22,23,24).
What are the key properties of 5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 350.49 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 71479411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).