N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C19H23N7OS — CID 119099649

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCc1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C19H23N7OS/c1-12-15(28-17(21-12)13-9-7-6-8-10-13)16(27)20-11-14-22-18(25(2)3)24-19(23-14)26(4)5/h6-10H,11H2,1-5H3,(H,20,27)
InChIKeyJSWMVJCFVSKQNF-UHFFFAOYSA-N
MW397.51 g/mol
LogP2.37
Rot. Bonds6

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

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 119099649) has the molecular formula C19H23N7OS and a molecular weight of 397.51 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID119099649
Molecular FormulaC19H23N7OS
Molecular Weight397.51 g/mol
Exact Mass397.17
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCc1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C19H23N7OS/c1-12-15(28-17(21-12)13-9-7-6-8-10-13)16(27)20-11-14-22-18(25(2)3)24-19(23-14)26(4)5/h6-10H,11H2,1-5H3,(H,20,27)
InChIKeyJSWMVJCFVSKQNF-UHFFFAOYSA-N
XLogP2.37
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 121137383
2,4-dimethyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 90546337
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46424700
N-[(4-acetamidophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 24628898
4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 90546415
4-methyl-N-[3-(N-methylanilino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 27746890
N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55804099
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
N-[2-(2-hydroxyphenyl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110427150
N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 78784342
N-benzyl-4-methyl-2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 73213268

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 119099649) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)NCc1nc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is JSWMVJCFVSKQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7OS/c1-12-15(28-17(21-12)13-9-7-6-8-10-13)16(27)20-11-14-22-18(25(2)3)24-19(23-14)26(4)5/h6-10H,11H2,1-5H3,(H,20,27).
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 397.51 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119099649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).