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

C24H27N3S — CID 145045272

IUPACN-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1ccc(-c2csc(Cc3cc(C)c(NC4=NCCCC4)cc3C)n2)cc1
InChIInChI=1S/C24H27N3S/c1-16-7-9-19(10-8-16)22-15-28-24(27-22)14-20-12-18(3)21(13-17(20)2)26-23-6-4-5-11-25-23/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,25,26)
InChIKeyYGGXKZOYGVYREO-UHFFFAOYSA-N
MW389.57 g/mol
LogP6.32
Rot. Bonds4

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

N-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 145045272) has the molecular formula C24H27N3S and a molecular weight of 389.57 g/mol. Its IUPAC name is N-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID145045272
Molecular FormulaC24H27N3S
Molecular Weight389.57 g/mol
Exact Mass389.19
IUPAC NameN-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1ccc(-c2csc(Cc3cc(C)c(NC4=NCCCC4)cc3C)n2)cc1
InChIInChI=1S/C24H27N3S/c1-16-7-9-19(10-8-16)22-15-28-24(27-22)14-20-12-18(3)21(13-17(20)2)26-23-6-4-5-11-25-23/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,25,26)
InChIKeyYGGXKZOYGVYREO-UHFFFAOYSA-N
XLogP6.32
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.57
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 145045272) is N-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine is Cc1ccc(-c2csc(Cc3cc(C)c(NC4=NCCCC4)cc3C)n2)cc1.
What is the InChIKey of N-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is YGGXKZOYGVYREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3S/c1-16-7-9-19(10-8-16)22-15-28-24(27-22)14-20-12-18(3)21(13-17(20)2)26-23-6-4-5-11-25-23/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,25,26).
What are the key properties of N-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 389.57 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 145045272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).