N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide

C20H20N8OS — CID 122291552

IUPACN-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1ccc(Nc2cc(-n3ccnc3)nc(C)n2)cc1
InChIInChI=1S/C20H20N8OS/c1-3-4-16-19(30-27-26-16)20(29)25-15-7-5-14(6-8-15)24-17-11-18(23-13(2)22-17)28-10-9-21-12-28/h5-12H,3-4H2,1-2H3,(H,25,29)(H,22,23,24)
InChIKeyKQCQYZNUMAODGL-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.77
Rot. Bonds7

About N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide

N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 122291552) has the molecular formula C20H20N8OS and a molecular weight of 420.50 g/mol. Its IUPAC name is N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide
PubChem CID122291552
Molecular FormulaC20H20N8OS
Molecular Weight420.50 g/mol
Exact Mass420.15
IUPAC NameN-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1ccc(Nc2cc(-n3ccnc3)nc(C)n2)cc1
InChIInChI=1S/C20H20N8OS/c1-3-4-16-19(30-27-26-16)20(29)25-15-7-5-14(6-8-15)24-17-11-18(23-13(2)22-17)28-10-9-21-12-28/h5-12H,3-4H2,1-2H3,(H,25,29)(H,22,23,24)
InChIKeyKQCQYZNUMAODGL-UHFFFAOYSA-N
XLogP3.77
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]propanamide
CID 70702579
2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 70702892
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]pyridine-2-carboxamide
CID 122291528
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-3-methoxybenzamide
CID 121073870
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbutanamide
CID 70702650
2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 70703585
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-propylthiadiazole-5-carboxamide
CID 122286996
1-(3-ethylphenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 56920804
(2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
CID 122291533
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-pyrimidin-2-yloxyacetamide
CID 121086772
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-naphthalen-1-ylacetamide
CID 122291584
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 122291620

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide (CID 122291552) is N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)Nc1ccc(Nc2cc(-n3ccnc3)nc(C)n2)cc1.
What is the InChIKey of N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is KQCQYZNUMAODGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8OS/c1-3-4-16-19(30-27-26-16)20(29)25-15-7-5-14(6-8-15)24-17-11-18(23-13(2)22-17)28-10-9-21-12-28/h5-12H,3-4H2,1-2H3,(H,25,29)(H,22,23,24).
What are the key properties of N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide?
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 122291552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).