N-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine

C24H23N3S — CID 10134696

IUPACN-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NCc3ccccc3)c2)s1
InChIInChI=1S/C24H23N3S/c1-3-22-27-23(19-11-7-8-17(2)14-19)24(28-22)20-12-13-25-21(15-20)26-16-18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3,(H,25,26)
InChIKeyFMTCKHIVPRUMEG-UHFFFAOYSA-N
MW385.54 g/mol
LogP6.36
Rot. Bonds6

About N-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine

N-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine (PubChem CID 10134696) has the molecular formula C24H23N3S and a molecular weight of 385.54 g/mol. Its IUPAC name is N-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
PubChem CID10134696
Molecular FormulaC24H23N3S
Molecular Weight385.54 g/mol
Exact Mass385.16
IUPAC NameN-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NCc3ccccc3)c2)s1
InChIInChI=1S/C24H23N3S/c1-3-22-27-23(19-11-7-8-17(2)14-19)24(28-22)20-12-13-25-21(15-20)26-16-18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3,(H,25,26)
InChIKeyFMTCKHIVPRUMEG-UHFFFAOYSA-N
XLogP6.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.54
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine (CID 10134696) is N-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine is CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NCc3ccccc3)c2)s1.
What is the InChIKey of N-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine?
The InChIKey is FMTCKHIVPRUMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3S/c1-3-22-27-23(19-11-7-8-17(2)14-19)24(28-22)20-12-13-25-21(15-20)26-16-18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3,(H,25,26).
What are the key properties of N-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine?
N-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine has a molecular weight of 385.54 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 10134696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).