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

C19H24N8OS — CID 88917164

IUPAC2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3ccccc3)s2)n1
InChIInChI=1S/C19H24N8OS/c1-4-15-23-17(20-10-11-27(2)3)25-18(24-15)26-19-21-12-14(29-19)16(28)22-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,22,28)(H2,20,21,23,24,25,26)
InChIKeyCACGKTCPIZMSBO-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.86
Rot. Bonds9

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

2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 88917164) has the molecular formula C19H24N8OS and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID88917164
Molecular FormulaC19H24N8OS
Molecular Weight412.52 g/mol
Exact Mass412.18
IUPAC Name2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3ccccc3)s2)n1
InChIInChI=1S/C19H24N8OS/c1-4-15-23-17(20-10-11-27(2)3)25-18(24-15)26-19-21-12-14(29-19)16(28)22-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,22,28)(H2,20,21,23,24,25,26)
InChIKeyCACGKTCPIZMSBO-UHFFFAOYSA-N
XLogP2.86
TPSA107.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3-thiazole-5-carboxamide (CID 88917164) is 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3-thiazole-5-carboxamide is CCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3ccccc3)s2)n1.
What is the InChIKey of 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is CACGKTCPIZMSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8OS/c1-4-15-23-17(20-10-11-27(2)3)25-18(24-15)26-19-21-12-14(29-19)16(28)22-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,22,28)(H2,20,21,23,24,25,26).
What are the key properties of 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3-thiazole-5-carboxamide?
2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 2.86, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 88917164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).