N-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide

C21H24F2N8O2S — CID 171652650

IUPACN-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESC[C@@H](CCCc1nc2c3cc(F)cc(F)c3nc(N)n2n1)N(C)C(=O)c1nnc(C(C)(C)O)s1
InChIInChI=1S/C21H24F2N8O2S/c1-10(30(4)18(32)17-27-28-19(34-17)21(2,3)33)6-5-7-14-25-16-12-8-11(22)9-13(23)15(12)26-20(24)31(16)29-14/h8-10,33H,5-7H2,1-4H3,(H2,24,26)/t10-/m0/s1
InChIKeyHUFWWPLSOBVLJM-JTQLQIEISA-N
MW490.54 g/mol
LogP2.70
Rot. Bonds7

About N-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide

N-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 171652650) has the molecular formula C21H24F2N8O2S and a molecular weight of 490.54 g/mol. Its IUPAC name is N-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID171652650
Molecular FormulaC21H24F2N8O2S
Molecular Weight490.54 g/mol
Exact Mass490.17
IUPAC NameN-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESC[C@@H](CCCc1nc2c3cc(F)cc(F)c3nc(N)n2n1)N(C)C(=O)c1nnc(C(C)(C)O)s1
InChIInChI=1S/C21H24F2N8O2S/c1-10(30(4)18(32)17-27-28-19(34-17)21(2,3)33)6-5-7-14-25-16-12-8-11(22)9-13(23)15(12)26-20(24)31(16)29-14/h8-10,33H,5-7H2,1-4H3,(H2,24,26)/t10-/m0/s1
InChIKeyHUFWWPLSOBVLJM-JTQLQIEISA-N
XLogP2.70
TPSA135.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide with MolForge

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Related Compounds

acetylene;4-(1-amino-2,2-difluoroethyl)-N-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-N-methylbenzamide
CID 171652675
acetylene;N-[(2S)-5-(5-amino-9-fluoro-7-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(azetidin-1-yl)-N-methylpyrazine-2-carboxamide
CID 171652744
N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 171652642
acetylene;N-[(2S)-5-(5-amino-9-fluoro-7-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-6-(3-ethyl-3-hydroxyazetidin-1-yl)-N-methylpyridine-3-carboxamide
CID 171652964
N-[(2S)-5-[5-[(2,4-dimethoxyphenyl)methylamino]-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]pentan-2-yl]-N-methylacetamide
CID 171652739
N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide
CID 171653051
acetylene;N-[4-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(2-hydroxypropan-2-yl)-N-methylpyridine-2-carboxamide
CID 171652480
acetylene;N-[4-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-4-(2-aminopropan-2-yl)-N-methylbenzamide;ethane
CID 171653139
acetylene;N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide;ethane
CID 171653050
N-[(2S)-5-(5-amino-9-fluoro-8-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-3-methoxy-N-methylcyclobutane-1-carboxamide
CID 171652585
acetylene;(3S)-N-[(2S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-N-methylpiperidine-3-carboxamide
CID 171652399
[3-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-(5-methylthiadiazol-4-yl)methanone
CID 171652987

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 171652650) is N-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide is C[C@@H](CCCc1nc2c3cc(F)cc(F)c3nc(N)n2n1)N(C)C(=O)c1nnc(C(C)(C)O)s1.
What is the InChIKey of N-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HUFWWPLSOBVLJM-JTQLQIEISA-N. The full InChI is InChI=1S/C21H24F2N8O2S/c1-10(30(4)18(32)17-27-28-19(34-17)21(2,3)33)6-5-7-14-25-16-12-8-11(22)9-13(23)15(12)26-20(24)31(16)29-14/h8-10,33H,5-7H2,1-4H3,(H2,24,26)/t10-/m0/s1.
What are the key properties of N-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
N-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 490.54 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(2-hydroxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 171652650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).