N-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide

C24H24N4O2S — CID 155410183

IUPACN-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2nc(-c3cccc(Nc4ccc(C#N)cc4)c3)cs2)CC1
InChIInChI=1S/C24H24N4O2S/c1-30-21-11-7-17(8-12-21)23(29)28-24-27-22(15-31-24)18-3-2-4-20(13-18)26-19-9-5-16(14-25)6-10-19/h2-6,9-10,13,15,17,21,26H,7-8,11-12H2,1H3,(H,27,28,29)
InChIKeyNOTVDLDXKVSIKV-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.57
Rot. Bonds6

About N-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide

N-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide (PubChem CID 155410183) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide
PubChem CID155410183
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2nc(-c3cccc(Nc4ccc(C#N)cc4)c3)cs2)CC1
InChIInChI=1S/C24H24N4O2S/c1-30-21-11-7-17(8-12-21)23(29)28-24-27-22(15-31-24)18-3-2-4-20(13-18)26-19-9-5-16(14-25)6-10-19/h2-6,9-10,13,15,17,21,26H,7-8,11-12H2,1H3,(H,27,28,29)
InChIKeyNOTVDLDXKVSIKV-UHFFFAOYSA-N
XLogP5.57
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 42765483
N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173830
3-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 156518211
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
3-cyano-N-[4-[3-(4-isocyanoanilino)phenyl]-1,3-thiazol-2-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 155654666
(6R)-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 124595815
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831727
1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150457
N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 3880487
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4677452
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721
N-[3-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173855

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide (CID 155410183) is N-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide is COC1CCC(C(=O)Nc2nc(-c3cccc(Nc4ccc(C#N)cc4)c3)cs2)CC1.
What is the InChIKey of N-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide?
The InChIKey is NOTVDLDXKVSIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-30-21-11-7-17(8-12-21)23(29)28-24-27-22(15-31-24)18-3-2-4-20(13-18)26-19-9-5-16(14-25)6-10-19/h2-6,9-10,13,15,17,21,26H,7-8,11-12H2,1H3,(H,27,28,29).
What are the key properties of N-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide?
N-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 155410183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).