3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

C19H13F3N6OS — CID 71268372

IUPAC3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1-c1nc(N)nc2ccccc12
InChIInChI=1S/C19H13F3N6OS/c1-9-6-7-10(15(29)26-18-28-27-16(30-18)19(20,21)22)8-12(9)14-11-4-2-3-5-13(11)24-17(23)25-14/h2-8H,1H3,(H2,23,24,25)(H,26,28,29)
InChIKeyPAFSOHLFCFARPS-UHFFFAOYSA-N
MW430.42 g/mol
LogP4.31
Rot. Bonds3

About 3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 71268372) has the molecular formula C19H13F3N6OS and a molecular weight of 430.42 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID71268372
Molecular FormulaC19H13F3N6OS
Molecular Weight430.42 g/mol
Exact Mass430.08
IUPAC Name3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1-c1nc(N)nc2ccccc12
InChIInChI=1S/C19H13F3N6OS/c1-9-6-7-10(15(29)26-18-28-27-16(30-18)19(20,21)22)8-12(9)14-11-4-2-3-5-13(11)24-17(23)25-14/h2-8H,1H3,(H2,23,24,25)(H,26,28,29)
InChIKeyPAFSOHLFCFARPS-UHFFFAOYSA-N
XLogP4.31
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 71268346
3,4-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077804
N-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide
CID 69465506
4-(methylsulfonylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38782405
3,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 777614
2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 162150154
5-methyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
CID 92595661
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide
CID 71891755
3-(2-chlorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 3384885
2-fluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077801
4-fluoro-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3656618
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-phenyl-3-(trifluoromethyl)phenyl]benzamide
CID 71211094

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 71268372) is 3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1-c1nc(N)nc2ccccc12.
What is the InChIKey of 3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is PAFSOHLFCFARPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6OS/c1-9-6-7-10(15(29)26-18-28-27-16(30-18)19(20,21)22)8-12(9)14-11-4-2-3-5-13(11)24-17(23)25-14/h2-8H,1H3,(H2,23,24,25)(H,26,28,29).
What are the key properties of 3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 430.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 71268372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).