N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C48H49N9S2 — CID 145382393

IUPACN-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCN(CCc1ccc(Nc2nc(-c3cccnc3)cs2)cc1)CCc1cccnc1.CN(CCc1ccc(Nc2ncc(-c3cccnc3)s2)cc1)Cc1ccccc1
InChIInChI=1S/C24H25N5S.C24H24N4S/c1-29(15-11-20-4-2-12-25-16-20)14-10-19-6-8-22(9-7-19)27-24-28-23(18-30-24)21-5-3-13-26-17-21;1-28(18-20-6-3-2-4-7-20)15-13-19-9-11-22(12-10-19)27-24-26-17-23(29-24)21-8-5-14-25-16-21/h2-9,12-13,16-18H,10-11,14-15H2,1H3,(H,27,28);2-12,14,16-17H,13,15,18H2,1H3,(H,26,27)
InChIKeyRNJWJHJHVDCHTB-UHFFFAOYSA-N
MW816.12 g/mol
LogP10.68
Rot. Bonds17

About N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 145382393) has the molecular formula C48H49N9S2 and a molecular weight of 816.12 g/mol. Its IUPAC name is N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID145382393
Molecular FormulaC48H49N9S2
Molecular Weight816.12 g/mol
Exact Mass815.36
IUPAC NameN-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCN(CCc1ccc(Nc2nc(-c3cccnc3)cs2)cc1)CCc1cccnc1.CN(CCc1ccc(Nc2ncc(-c3cccnc3)s2)cc1)Cc1ccccc1
InChIInChI=1S/C24H25N5S.C24H24N4S/c1-29(15-11-20-4-2-12-25-16-20)14-10-19-6-8-22(9-7-19)27-24-28-23(18-30-24)21-5-3-13-26-17-21;1-28(18-20-6-3-2-4-7-20)15-13-19-9-11-22(12-10-19)27-24-26-17-23(29-24)21-8-5-14-25-16-21/h2-9,12-13,16-18H,10-11,14-15H2,1H3,(H,27,28);2-12,14,16-17H,13,15,18H2,1H3,(H,26,27)
InChIKeyRNJWJHJHVDCHTB-UHFFFAOYSA-N
XLogP10.68
TPSA94.99 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500816.12
LogP ≤ 510.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine with MolForge

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Related Compounds

N,N-diethyl-N'-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 1502838
N-(4-Methylphenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 704482
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 704601
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-(4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 145989991
N-(4-methylphenyl)-4-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-amine
CID 2408495
N-[5-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]-6-piperazin-1-yl pyridin-2-amine
CID 15979138
N-[5-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylpyridin-2-amine
CID 16091079
N-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine
CID 46182714
N-(6-methyl-2-pyridinyl)-4-(4-pyridin-3-ylphenyl)-1,3-thiazol-2-amine
CID 71615268
N-(4-{2-[benzyl(methyl)amino]ethyl}phenyl)-5-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 72201050
4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423074
4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423193

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 145382393) is N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is CN(CCc1ccc(Nc2nc(-c3cccnc3)cs2)cc1)CCc1cccnc1.CN(CCc1ccc(Nc2ncc(-c3cccnc3)s2)cc1)Cc1ccccc1.
What is the InChIKey of N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is RNJWJHJHVDCHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5S.C24H24N4S/c1-29(15-11-20-4-2-12-25-16-20)14-10-19-6-8-22(9-7-19)27-24-28-23(18-30-24)21-5-3-13-26-17-21;1-28(18-20-6-3-2-4-7-20)15-13-19-9-11-22(12-10-19)27-24-26-17-23(29-24)21-8-5-14-25-16-21/h2-9,12-13,16-18H,10-11,14-15H2,1H3,(H,27,28);2-12,14,16-17H,13,15,18H2,1H3,(H,26,27).
What are the key properties of N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 816.12 g/mol, XLogP of 10.68, 17 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 145382393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).