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

C49H54N8S2 — CID 145021311

IUPACN-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;molecular hydrogen
SMILESCN(CCc1ccc(Nc2nc(-c3ccncc3)cs2)cc1)Cc1ccccc1.CN(CCc1ccccc1)CCc1ccc(Nc2nc(-c3cccnc3)cs2)cc1.[H][H].[H][H]
InChIInChI=1S/C25H26N4S.C24H24N4S.2H2/c1-29(16-13-20-6-3-2-4-7-20)17-14-21-9-11-23(12-10-21)27-25-28-24(19-30-25)22-8-5-15-26-18-22;1-28(17-20-5-3-2-4-6-20)16-13-19-7-9-22(10-8-19)26-24-27-23(18-29-24)21-11-14-25-15-12-21;;/h2-12,15,18-19H,13-14,16-17H2,1H3,(H,27,28);2-12,14-15,18H,13,16-17H2,1H3,(H,26,27);2*1H
InChIKeyUORJWKTYQLOWQW-UHFFFAOYSA-N
MW819.16 g/mol
LogP11.78
Rot. Bonds17

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

N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;molecular hydrogen (PubChem CID 145021311) has the molecular formula C49H54N8S2 and a molecular weight of 819.16 g/mol. Its IUPAC name is N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;molecular hydrogen
PubChem CID145021311
Molecular FormulaC49H54N8S2
Molecular Weight819.16 g/mol
Exact Mass818.39
IUPAC NameN-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;molecular hydrogen
SMILESCN(CCc1ccc(Nc2nc(-c3ccncc3)cs2)cc1)Cc1ccccc1.CN(CCc1ccccc1)CCc1ccc(Nc2nc(-c3cccnc3)cs2)cc1.[H][H].[H][H]
InChIInChI=1S/C25H26N4S.C24H24N4S.2H2/c1-29(16-13-20-6-3-2-4-7-20)17-14-21-9-11-23(12-10-21)27-25-28-24(19-30-25)22-8-5-15-26-18-22;1-28(17-20-5-3-2-4-6-20)16-13-19-7-9-22(10-8-19)26-24-27-23(18-29-24)21-11-14-25-15-12-21;;/h2-12,15,18-19H,13-14,16-17H2,1H3,(H,27,28);2-12,14-15,18H,13,16-17H2,1H3,(H,26,27);2*1H
InChIKeyUORJWKTYQLOWQW-UHFFFAOYSA-N
XLogP11.78
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.16
LogP ≤ 511.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
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
N-(4-(pyridin-3-yl)thiazol-2-yl)pyridin-2-amine
CID 704624
N-[[(1R,5S)-3-[(3,5-difluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 49862400
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-(3,4-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 972507
N-(4-methylphenyl)-4-(pyridin-2-yl)-1,3-thiazol-2-amine
CID 746602
Phenethyl-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 972709
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
4-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2573156

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;molecular hydrogen?
The IUPAC name of N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;molecular hydrogen (CID 145021311) is N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;molecular hydrogen.
What is the SMILES notation for N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;molecular hydrogen?
The canonical SMILES for N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;molecular hydrogen is CN(CCc1ccc(Nc2nc(-c3ccncc3)cs2)cc1)Cc1ccccc1.CN(CCc1ccccc1)CCc1ccc(Nc2nc(-c3cccnc3)cs2)cc1.[H][H].[H][H].
What is the InChIKey of N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;molecular hydrogen?
The InChIKey is UORJWKTYQLOWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4S.C24H24N4S.2H2/c1-29(16-13-20-6-3-2-4-7-20)17-14-21-9-11-23(12-10-21)27-25-28-24(19-30-25)22-8-5-15-26-18-22;1-28(17-20-5-3-2-4-6-20)16-13-19-7-9-22(10-8-19)26-24-27-23(18-29-24)21-11-14-25-15-12-21;;/h2-12,15,18-19H,13-14,16-17H2,1H3,(H,27,28);2-12,14-15,18H,13,16-17H2,1H3,(H,26,27);2*1H.
What are the key properties of N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;molecular hydrogen?
N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;molecular hydrogen has a molecular weight of 819.16 g/mol, XLogP of 11.78, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;molecular hydrogen is sourced from PubChem (CID 145021311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).