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

C25H23N3OS — CID 11611340

IUPACN-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-N-methylbenzamide
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(N(C)C(=O)c3ccccc3)c2)s1
InChIInChI=1S/C25H23N3OS/c1-4-22-27-23(19-12-8-9-17(2)15-19)24(30-22)20-13-14-26-21(16-20)28(3)25(29)18-10-6-5-7-11-18/h5-16H,4H2,1-3H3
InChIKeyISRJBUPUNYJTLS-UHFFFAOYSA-N
MW413.55 g/mol
LogP6.02
Rot. Bonds5

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

N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-N-methylbenzamide (PubChem CID 11611340) has the molecular formula C25H23N3OS and a molecular weight of 413.55 g/mol. Its IUPAC name is N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-N-methylbenzamide
PubChem CID11611340
Molecular FormulaC25H23N3OS
Molecular Weight413.55 g/mol
Exact Mass413.16
IUPAC NameN-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-N-methylbenzamide
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(N(C)C(=O)c3ccccc3)c2)s1
InChIInChI=1S/C25H23N3OS/c1-4-22-27-23(19-12-8-9-17(2)15-19)24(30-22)20-13-14-26-21(16-20)28(3)25(29)18-10-6-5-7-11-18/h5-16H,4H2,1-3H3
InChIKeyISRJBUPUNYJTLS-UHFFFAOYSA-N
XLogP6.02
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 790259
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CID 203433
CID 203433
CID 4119262
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CID 123372490
CID 123372490
CID 804510
CID 804510
CID 10402473
CID 10402473
CID 57402288
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CID 166635231
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CID 3267821
CID 3267821

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-N-methylbenzamide?
The IUPAC name of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-N-methylbenzamide (CID 11611340) is N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-N-methylbenzamide.
What is the SMILES notation for N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-N-methylbenzamide?
The canonical SMILES for N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-N-methylbenzamide is CCc1nc(-c2cccc(C)c2)c(-c2ccnc(N(C)C(=O)c3ccccc3)c2)s1.
What is the InChIKey of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-N-methylbenzamide?
The InChIKey is ISRJBUPUNYJTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3OS/c1-4-22-27-23(19-12-8-9-17(2)15-19)24(30-22)20-13-14-26-21(16-20)28(3)25(29)18-10-6-5-7-11-18/h5-16H,4H2,1-3H3.
What are the key properties of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-N-methylbenzamide?
N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-N-methylbenzamide has a molecular weight of 413.55 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 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]-N-methylbenzamide is sourced from PubChem (CID 11611340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).