N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide

C26H25N3OS — CID 10274130

IUPACN-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)CCc3ccccc3)c2)s1
InChIInChI=1S/C26H25N3OS/c1-3-24-29-25(20-11-7-8-18(2)16-20)26(31-24)21-14-15-27-22(17-21)28-23(30)13-12-19-9-5-4-6-10-19/h4-11,14-17H,3,12-13H2,1-2H3,(H,27,28,30)
InChIKeyXLMIKSYZFWHWMU-UHFFFAOYSA-N
MW427.57 g/mol
LogP6.31
Rot. Bonds7

About N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide

N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide (PubChem CID 10274130) has the molecular formula C26H25N3OS and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide
PubChem CID10274130
Molecular FormulaC26H25N3OS
Molecular Weight427.57 g/mol
Exact Mass427.17
IUPAC NameN-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)CCc3ccccc3)c2)s1
InChIInChI=1S/C26H25N3OS/c1-3-24-29-25(20-11-7-8-18(2)16-20)26(31-24)21-14-15-27-22(17-21)28-23(30)13-12-19-9-5-4-6-10-19/h4-11,14-17H,3,12-13H2,1-2H3,(H,27,28,30)
InChIKeyXLMIKSYZFWHWMU-UHFFFAOYSA-N
XLogP6.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide (CID 10274130) is N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide is CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)CCc3ccccc3)c2)s1.
What is the InChIKey of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide?
The InChIKey is XLMIKSYZFWHWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3OS/c1-3-24-29-25(20-11-7-8-18(2)16-20)26(31-24)21-14-15-27-22(17-21)28-23(30)13-12-19-9-5-4-6-10-19/h4-11,14-17H,3,12-13H2,1-2H3,(H,27,28,30).
What are the key properties of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide?
N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide has a molecular weight of 427.57 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 10274130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).