N-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide

C29H43N5O3S — CID 123192081

IUPACN-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide
SMILESC=c1c(C#N)c(O)n(N(C)C(=O)C(C)(C)C)c(=O)/c1=C\c1sc(N(CCCC)CCCC)nc1C(C)(C)C
InChIInChI=1S/C29H43N5O3S/c1-11-13-15-33(16-14-12-2)27-31-23(28(4,5)6)22(38-27)17-20-19(3)21(18-30)25(36)34(24(20)35)32(10)26(37)29(7,8)9/h17,36H,3,11-16H2,1-2,4-10H3/b20-17-
InChIKeyOFQYEGIOHLGBOB-JZJYNLBNSA-N
MW541.76 g/mol
LogP3.97
Rot. Bonds9

About N-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide

N-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide (PubChem CID 123192081) has the molecular formula C29H43N5O3S and a molecular weight of 541.76 g/mol. Its IUPAC name is N-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide
PubChem CID123192081
Molecular FormulaC29H43N5O3S
Molecular Weight541.76 g/mol
Exact Mass541.31
IUPAC NameN-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide
SMILESC=c1c(C#N)c(O)n(N(C)C(=O)C(C)(C)C)c(=O)/c1=C\c1sc(N(CCCC)CCCC)nc1C(C)(C)C
InChIInChI=1S/C29H43N5O3S/c1-11-13-15-33(16-14-12-2)27-31-23(28(4,5)6)22(38-27)17-20-19(3)21(18-30)25(36)34(24(20)35)32(10)26(37)29(7,8)9/h17,36H,3,11-16H2,1-2,4-10H3/b20-17-
InChIKeyOFQYEGIOHLGBOB-JZJYNLBNSA-N
XLogP3.97
TPSA102.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.76
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide with MolForge

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Related Compounds

N-[(5Z)-5-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N-methyladamantane-1-carboxamide
CID 123483456
N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-(diethylamino)-1,3-thiazol-5-yl]methylidene]-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]benzamide
CID 123501925
N-[(5Z)-3-cyano-5-[[2-[2-ethylhexyl-[(2S)-2-ethylhexyl]amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]-N,2,2-trimethylpropanamide
CID 122658840
N-[(3Z)-3-[[2-[bis(3-methylbutyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-4-methyl-2,6-dioxo-1-pyridinyl]-N-methylbenzamide
CID 118582094
(6Z)-6-[[4-tert-butyl-2-[di(propan-2-yl)amino]-1,3-thiazol-5-yl]methylidene]-7-methyl-5-oxo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
CID 91571035
N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;N-[(3Z)-3-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-2,6-dioxo-4-propyl-1-pyridinyl]-N,2,2-trimethylpropanamide;N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;(5Z)-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 159646547
(5Z)-5-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile
CID 134393823
4-tert-butyl-2-[ethyl(propyl)amino]-1,3-thiazole-5-carbaldehyde
CID 55112984
(5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile
CID 123751311
N-[5-[[4-[bis(2-ethylhexyl)sulfinamoyl]phenyl]diazenyl]-3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]-N,2,2-trimethylbut-3-enamide
CID 137128861
(4Z)-4-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-tert-butyl-2-methylpyrazol-3-one
CID 122630443
2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile
CID 91209185

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide (CID 123192081) is N-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide is C=c1c(C#N)c(O)n(N(C)C(=O)C(C)(C)C)c(=O)/c1=C\c1sc(N(CCCC)CCCC)nc1C(C)(C)C.
What is the InChIKey of N-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide?
The InChIKey is OFQYEGIOHLGBOB-JZJYNLBNSA-N. The full InChI is InChI=1S/C29H43N5O3S/c1-11-13-15-33(16-14-12-2)27-31-23(28(4,5)6)22(38-27)17-20-19(3)21(18-30)25(36)34(24(20)35)32(10)26(37)29(7,8)9/h17,36H,3,11-16H2,1-2,4-10H3/b20-17-.
What are the key properties of N-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide?
N-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide has a molecular weight of 541.76 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-[[4-tert-butyl-2-(dibutylamino)-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-4-methylidene-6-oxo-1-pyridinyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 123192081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).