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

C25H25N3S — CID 10294370

IUPAC4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(N[C@H](C)c3ccccc3)c2)s1
InChIInChI=1S/C25H25N3S/c1-4-23-28-24(20-12-8-9-17(2)15-20)25(29-23)21-13-14-26-22(16-21)27-18(3)19-10-6-5-7-11-19/h5-16,18H,4H2,1-3H3,(H,26,27)/t18-/m1/s1
InChIKeyXIVWBJMVECVXMH-GOSISDBHSA-N
MW399.56 g/mol
LogP6.92
Rot. Bonds6

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

4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine (PubChem CID 10294370) has the molecular formula C25H25N3S and a molecular weight of 399.56 g/mol. Its IUPAC name is 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine
PubChem CID10294370
Molecular FormulaC25H25N3S
Molecular Weight399.56 g/mol
Exact Mass399.18
IUPAC Name4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(N[C@H](C)c3ccccc3)c2)s1
InChIInChI=1S/C25H25N3S/c1-4-23-28-24(20-12-8-9-17(2)15-20)25(29-23)21-13-14-26-22(16-21)27-18(3)19-10-6-5-7-11-19/h5-16,18H,4H2,1-3H3,(H,26,27)/t18-/m1/s1
InChIKeyXIVWBJMVECVXMH-GOSISDBHSA-N
XLogP6.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.56
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine?
The IUPAC name of 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine (CID 10294370) is 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine is CCc1nc(-c2cccc(C)c2)c(-c2ccnc(N[C@H](C)c3ccccc3)c2)s1.
What is the InChIKey of 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine?
The InChIKey is XIVWBJMVECVXMH-GOSISDBHSA-N. The full InChI is InChI=1S/C25H25N3S/c1-4-23-28-24(20-12-8-9-17(2)15-20)25(29-23)21-13-14-26-22(16-21)27-18(3)19-10-6-5-7-11-19/h5-16,18H,4H2,1-3H3,(H,26,27)/t18-/m1/s1.
What are the key properties of 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine?
4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine has a molecular weight of 399.56 g/mol, XLogP of 6.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine is sourced from PubChem (CID 10294370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).