N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

C22H20ClN7O2S — CID 88917083

IUPACN-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(NCCO)nc(-c3ccccc3)n2)s1
InChIInChI=1S/C22H20ClN7O2S/c1-13-6-5-9-15(23)17(13)26-19(32)16-12-25-22(33-16)30-21-28-18(14-7-3-2-4-8-14)27-20(29-21)24-10-11-31/h2-9,12,31H,10-11H2,1H3,(H,26,32)(H2,24,25,27,28,29,30)
InChIKeyLURHNFCELLTAJJ-UHFFFAOYSA-N
MW481.97 g/mol
LogP4.36
Rot. Bonds8

About N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 88917083) has the molecular formula C22H20ClN7O2S and a molecular weight of 481.97 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID88917083
Molecular FormulaC22H20ClN7O2S
Molecular Weight481.97 g/mol
Exact Mass481.11
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(NCCO)nc(-c3ccccc3)n2)s1
InChIInChI=1S/C22H20ClN7O2S/c1-13-6-5-9-15(23)17(13)26-19(32)16-12-25-22(33-16)30-21-28-18(14-7-3-2-4-8-14)27-20(29-21)24-10-11-31/h2-9,12,31H,10-11H2,1H3,(H,26,32)(H2,24,25,27,28,29,30)
InChIKeyLURHNFCELLTAJJ-UHFFFAOYSA-N
XLogP4.36
TPSA124.95 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.97
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 88917062
N-(2-chloro-6-methylphenyl)-2-[(4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 88917076
N-(2-chloro-6-methylphenyl)-2-[[4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 25030174
N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 88917064
2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 59600389
2-[[4,6-bis[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 59600397
2-[[2-chloro-6-[3-(2-hydroxyethylamino)propylamino]pyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 130458816
N-(2-chloro-6-methylphenyl)-2-[[4-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 159222853
N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane
CID 144756148
N-(2-chloro-6-methylphenyl)-2-[[6-[3-(2-hydroxyethylamino)propylamino]-2-prop-1-en-2-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 130458893
N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
CID 11269410
N-(2-chloro-6-methylphenyl)-2-[[4-(2,3-dihydrothiophen-5-yl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(3-fluorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-fluorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(2-methylphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 158651164

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 88917083) is N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(NCCO)nc(-c3ccccc3)n2)s1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is LURHNFCELLTAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O2S/c1-13-6-5-9-15(23)17(13)26-19(32)16-12-25-22(33-16)30-21-28-18(14-7-3-2-4-8-14)27-20(29-21)24-10-11-31/h2-9,12,31H,10-11H2,1H3,(H,26,32)(H2,24,25,27,28,29,30).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 481.97 g/mol, XLogP of 4.36, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 88917083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).