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

C21H25ClN8OS — CID 88917064

IUPACN-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(NCCN(C)C)nc(C3CC3)n2)s1
InChIInChI=1S/C21H25ClN8OS/c1-12-5-4-6-14(22)16(12)25-18(31)15-11-24-21(32-15)29-20-27-17(13-7-8-13)26-19(28-20)23-9-10-30(2)3/h4-6,11,13H,7-10H2,1-3H3,(H,25,31)(H2,23,24,26,27,28,29)
InChIKeyVUZFEZODUVRREO-UHFFFAOYSA-N
MW473.01 g/mol
LogP4.14
Rot. Bonds9

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

N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 88917064) has the molecular formula C21H25ClN8OS and a molecular weight of 473.01 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID88917064
Molecular FormulaC21H25ClN8OS
Molecular Weight473.01 g/mol
Exact Mass472.16
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(NCCN(C)C)nc(C3CC3)n2)s1
InChIInChI=1S/C21H25ClN8OS/c1-12-5-4-6-14(22)16(12)25-18(31)15-11-24-21(32-15)29-20-27-17(13-7-8-13)26-19(28-20)23-9-10-30(2)3/h4-6,11,13H,7-10H2,1-3H3,(H,25,31)(H2,23,24,26,27,28,29)
InChIKeyVUZFEZODUVRREO-UHFFFAOYSA-N
XLogP4.14
TPSA107.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.01
LogP ≤ 54.14
H-Bond Donors ≤ 53
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-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 88917083
N-(2-chloro-6-methylphenyl)-2-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 59600508
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
N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 91275749
2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 88917164
N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane
CID 144756148
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
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-[[6-[[2-(hydroxyamino)-2-oxoethyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 24856897
N-(2-chloro-6-methylphenyl)-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
CID 167200469
2-[[4-(2-but-2-ynoylhydrazinyl)-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 131989268

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 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) is N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[2-(dimethylamino)ethylamino]-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-cyclopropyl-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(NCCN(C)C)nc(C3CC3)n2)s1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is VUZFEZODUVRREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN8OS/c1-12-5-4-6-14(22)16(12)25-18(31)15-11-24-21(32-15)29-20-27-17(13-7-8-13)26-19(28-20)23-9-10-30(2)3/h4-6,11,13H,7-10H2,1-3H3,(H,25,31)(H2,23,24,26,27,28,29).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 473.01 g/mol, XLogP of 4.14, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 88917064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).