N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C25H23N3O2S — CID 58442428

IUPACN-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(C)cc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)c1
InChIInChI=1S/C25H23N3O2S/c1-15-9-16(2)11-20(10-15)30-21-12-17(3)23(18(4)13-21)22-14-31-25(27-22)28-24(29)19-5-7-26-8-6-19/h5-14H,1-4H3,(H,27,28,29)
InChIKeyJEITUTCWOZUUCM-UHFFFAOYSA-N
MW429.55 g/mol
LogP6.48
Rot. Bonds5

About N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 58442428) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID58442428
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC NameN-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(C)cc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)c1
InChIInChI=1S/C25H23N3O2S/c1-15-9-16(2)11-20(10-15)30-21-12-17(3)23(18(4)13-21)22-14-31-25(27-22)28-24(29)19-5-7-26-8-6-19/h5-14H,1-4H3,(H,27,28,29)
InChIKeyJEITUTCWOZUUCM-UHFFFAOYSA-N
XLogP6.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901625
N-[4-(4-hydroxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 86690827
N-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 140940726
N-[4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442458
N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 152683928
tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate
CID 118013446
2-fluoro-N-[4-[4-(4-methoxyphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 53389651
tert-butyl 2-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]anilino]acetate
CID 118006052
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
2-bromo-1-[2,6-dimethyl-4-(4-phenoxyphenoxy)phenyl]ethanone;1-(4-chloro-2,6-dimethylphenyl)ethanone;1-[2,6-dimethyl-4-(4-phenoxyphenoxy)phenyl]ethanone;4-[2,6-dimethyl-4-(4-phenoxyphenoxy)phenyl]-1,3-thiazol-2-amine;N-[4-[2,6-dimethyl-4-(4-phenoxyphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 159450241
4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen
CID 144822338
N-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 129189982

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 58442428) is N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1cc(C)cc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)c1.
What is the InChIKey of N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is JEITUTCWOZUUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-15-9-16(2)11-20(10-15)30-21-12-17(3)23(18(4)13-21)22-14-31-25(27-22)28-24(29)19-5-7-26-8-6-19/h5-14H,1-4H3,(H,27,28,29).
What are the key properties of N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 58442428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).