N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide

C24H24ClN5O3S — CID 155757674

IUPACN-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
SMILESC=CC(=O)N1CCC[C@H](Oc2cccc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)n2)C1
InChIInChI=1S/C24H24ClN5O3S/c1-3-21(31)30-12-6-8-16(14-30)33-20-11-5-10-19(27-20)28-24-26-13-18(34-24)23(32)29-22-15(2)7-4-9-17(22)25/h3-5,7,9-11,13,16H,1,6,8,12,14H2,2H3,(H,29,32)(H,26,27,28)/t16-/m0/s1
InChIKeyWAUVANXDCFUAIN-INIZCTEOSA-N
MW498.01 g/mol
LogP5.05
Rot. Bonds7

About N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 155757674) has the molecular formula C24H24ClN5O3S and a molecular weight of 498.01 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID155757674
Molecular FormulaC24H24ClN5O3S
Molecular Weight498.01 g/mol
Exact Mass497.13
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
SMILESC=CC(=O)N1CCC[C@H](Oc2cccc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)n2)C1
InChIInChI=1S/C24H24ClN5O3S/c1-3-21(31)30-12-6-8-16(14-30)33-20-11-5-10-19(27-20)28-24-26-13-18(34-24)23(32)29-22-15(2)7-4-9-17(22)25/h3-5,7,9-11,13,16H,1,6,8,12,14H2,2H3,(H,29,32)(H,26,27,28)/t16-/m0/s1
InChIKeyWAUVANXDCFUAIN-INIZCTEOSA-N
XLogP5.05
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.01
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 3-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]pyrrolidine-1-carboxylate
CID 126961598
N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
CID 11269410
2-[[6-(4-acetylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 142458527
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(methylideneamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 143223112
N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-prop-2-enylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 138579122
N-(2-chloro-6-methylphenyl)-2-[[6-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]-3-methoxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
CID 178002021
N-(2,6-dimethylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-[(1-prop-2-enoylpyrrolidin-3-yl)amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 130297156
N-(2-chloro-6-methylphenyl)-2-[[3-(difluoromethoxy)-6-(12-prop-2-enoyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
CID 178002106
2-[[6-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53232769
N-(2-chloro-6-methylphenyl)-2-[[2-[2,2-di(prop-2-enoyl)hydrazinyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 131989217
N-(2-chloro-6-methylphenyl)-2-[[6-[4-(hydroxyamino)-4-oxobutoxy]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 24856818
N-(2-chloro-6-methylphenyl)-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
CID 167200469

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide (CID 155757674) is N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide is C=CC(=O)N1CCC[C@H](Oc2cccc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)n2)C1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is WAUVANXDCFUAIN-INIZCTEOSA-N. The full InChI is InChI=1S/C24H24ClN5O3S/c1-3-21(31)30-12-6-8-16(14-30)33-20-11-5-10-19(27-20)28-24-26-13-18(34-24)23(32)29-22-15(2)7-4-9-17(22)25/h3-5,7,9-11,13,16H,1,6,8,12,14H2,2H3,(H,29,32)(H,26,27,28)/t16-/m0/s1.
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 498.01 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-1-prop-2-enoylpiperidin-3-yl]oxy-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155757674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).