N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine

C44H50N4O2S — CID 157074013

IUPACN-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine
SMILESCCCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2nccs2)cc1
InChIInChI=1S/C23H26N2O.C21H24N2OS/c1-2-3-9-20-13-15-22(16-14-20)26-19-18-25(21-10-5-4-6-11-21)23-12-7-8-17-24-23;1-2-3-7-18-10-12-20(13-11-18)24-16-15-23(21-22-14-17-25-21)19-8-5-4-6-9-19/h4-8,10-17H,2-3,9,18-19H2,1H3;4-6,8-14,17H,2-3,7,15-16H2,1H3
InChIKeyACTJLZFAQSYPTO-UHFFFAOYSA-N
MW698.98 g/mol
LogP11.34
Rot. Bonds18

About N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine

N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 157074013) has the molecular formula C44H50N4O2S and a molecular weight of 698.98 g/mol. Its IUPAC name is N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID157074013
Molecular FormulaC44H50N4O2S
Molecular Weight698.98 g/mol
Exact Mass698.37
IUPAC NameN-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine
SMILESCCCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2nccs2)cc1
InChIInChI=1S/C23H26N2O.C21H24N2OS/c1-2-3-9-20-13-15-22(16-14-20)26-19-18-25(21-10-5-4-6-11-21)23-12-7-8-17-24-23;1-2-3-7-18-10-12-20(13-11-18)24-16-15-23(21-22-14-17-25-21)19-8-5-4-6-9-19/h4-8,10-17H,2-3,9,18-19H2,1H3;4-6,8-14,17H,2-3,7,15-16H2,1H3
InChIKeyACTJLZFAQSYPTO-UHFFFAOYSA-N
XLogP11.34
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.98
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Imidazo(2,1-b)thiazole, 6-(4-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butoxy)phenyl)-
CID 9868983
3-(Benzyloxy)-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 16660015
3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
3-(benzyloxy)-5-(benzylthio)-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16660174
3-(benzyloxy)-N-(4-methylthiazol-2-yl)-5-(pyridin-2-ylmethylthio)pyridin-2-amine
CID 16660507
4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 16660671
N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 24765640
N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine
CID 57742806
3-(Benzyloxy)-N-(4-methylthiazol-2-yl)-5-(phenylthio)pyridin-2-amine
CID 59225645
1-(2-morpholin-4-yl-3-pyridinyl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine
CID 71292946
N-{4-[2-(Dimethylamino)ethoxy]phenyl}-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 44227711
2-[2-[[3-[4-(2-Methoxyethyl)phenoxy]-3-methylpyrrolidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole
CID 49790964

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine (CID 157074013) is N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine is CCCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2nccs2)cc1.
What is the InChIKey of N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is ACTJLZFAQSYPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O.C21H24N2OS/c1-2-3-9-20-13-15-22(16-14-20)26-19-18-25(21-10-5-4-6-11-21)23-12-7-8-17-24-23;1-2-3-7-18-10-12-20(13-11-18)24-16-15-23(21-22-14-17-25-21)19-8-5-4-6-9-19/h4-8,10-17H,2-3,9,18-19H2,1H3;4-6,8-14,17H,2-3,7,15-16H2,1H3.
What are the key properties of N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine?
N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 698.98 g/mol, XLogP of 11.34, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 157074013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).