4-methyl-N-phenyl-5-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1,3-thiazol-2-amine

C24H27N3S — CID 19982244

IUPAC4-methyl-N-phenyl-5-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccccc2)sc1CCCC1CC(c2ccccc2)=CCN1
InChIInChI=1S/C24H27N3S/c1-18-23(28-24(26-18)27-21-11-6-3-7-12-21)14-8-13-22-17-20(15-16-25-22)19-9-4-2-5-10-19/h2-7,9-12,15,22,25H,8,13-14,16-17H2,1H3,(H,26,27)
InChIKeyJLHKXBIPEAYLDD-UHFFFAOYSA-N
MW389.57 g/mol
LogP5.96
Rot. Bonds7

About 4-methyl-N-phenyl-5-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1,3-thiazol-2-amine

4-methyl-N-phenyl-5-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1,3-thiazol-2-amine (PubChem CID 19982244) has the molecular formula C24H27N3S and a molecular weight of 389.57 g/mol. Its IUPAC name is 4-methyl-N-phenyl-5-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-phenyl-5-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1,3-thiazol-2-amine
PubChem CID19982244
Molecular FormulaC24H27N3S
Molecular Weight389.57 g/mol
Exact Mass389.19
IUPAC Name4-methyl-N-phenyl-5-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccccc2)sc1CCCC1CC(c2ccccc2)=CCN1
InChIInChI=1S/C24H27N3S/c1-18-23(28-24(26-18)27-21-11-6-3-7-12-21)14-8-13-22-17-20(15-16-25-22)19-9-4-2-5-10-19/h2-7,9-12,15,22,25H,8,13-14,16-17H2,1H3,(H,26,27)
InChIKeyJLHKXBIPEAYLDD-UHFFFAOYSA-N
XLogP5.96
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.57
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-2-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethyl]pyridine
CID 19863671
2-(2-anilino-4-methyl-1,3-thiazol-5-yl)ethyl nitrate
CID 11492854
N-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide
CID 19888458
4-(3-methylphenyl)-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine
CID 19863560
bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 87664196
[4-methyl-5-(2-phenylethyl)-1,3-thiazol-2-yl]hydrazine
CID 94776574
3-[4-methyl-2-(4-pyrrolidin-1-ylanilino)-1,3-thiazol-5-yl]propanoic acid
CID 82162027
7-chloro-3-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-2-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene
CID 57308721
3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid
CID 82162004
4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 2384167
1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane
CID 144672585
N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 15017642

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-5-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-phenyl-5-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1,3-thiazol-2-amine (CID 19982244) is 4-methyl-N-phenyl-5-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-phenyl-5-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-phenyl-5-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1,3-thiazol-2-amine is Cc1nc(Nc2ccccc2)sc1CCCC1CC(c2ccccc2)=CCN1.
What is the InChIKey of 4-methyl-N-phenyl-5-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1,3-thiazol-2-amine?
The InChIKey is JLHKXBIPEAYLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3S/c1-18-23(28-24(26-18)27-21-11-6-3-7-12-21)14-8-13-22-17-20(15-16-25-22)19-9-4-2-5-10-19/h2-7,9-12,15,22,25H,8,13-14,16-17H2,1H3,(H,26,27).
What are the key properties of 4-methyl-N-phenyl-5-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1,3-thiazol-2-amine?
4-methyl-N-phenyl-5-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1,3-thiazol-2-amine has a molecular weight of 389.57 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-5-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 19982244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).