N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide

C17H19N7OS — CID 122287247

IUPACN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3snnc3C)cc2)n1
InChIInChI=1S/C17H19N7OS/c1-10-9-14(24(3)4)21-17(18-10)20-13-7-5-12(6-8-13)19-16(25)15-11(2)22-23-26-15/h5-9H,1-4H3,(H,19,25)(H,18,20,21)
InChIKeyKJAKUAKPSRUSEN-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.01
Rot. Bonds5

About N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 122287247) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID122287247
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3snnc3C)cc2)n1
InChIInChI=1S/C17H19N7OS/c1-10-9-14(24(3)4)21-17(18-10)20-13-7-5-12(6-8-13)19-16(25)15-11(2)22-23-26-15/h5-9H,1-4H3,(H,19,25)(H,18,20,21)
InChIKeyKJAKUAKPSRUSEN-UHFFFAOYSA-N
XLogP3.01
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,4-dimethylbenzamide
CID 121032306
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 122287302
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide
CID 27537410
1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3,4-dimethylphenyl)urea
CID 122287217
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide
CID 122287408
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide
CID 122287304
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-ethoxybenzamide
CID 46362597
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]cyclopentanecarboxamide
CID 121032303
3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
CID 122287309
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]cyclohexanecarboxamide
CID 27478105
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-propylthiadiazole-5-carboxamide
CID 122286996
2-(4-chlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 122287191

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide (CID 122287247) is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide is Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3snnc3C)cc2)n1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is KJAKUAKPSRUSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-10-9-14(24(3)4)21-17(18-10)20-13-7-5-12(6-8-13)19-16(25)15-11(2)22-23-26-15/h5-9H,1-4H3,(H,19,25)(H,18,20,21).
What are the key properties of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide?
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 122287247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).