5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine

C20H14F3N5OS — CID 24958273

IUPAC5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccnc(-c2nnc(Nc3cccc(C(F)(F)F)c3)s2)c1-c1ccncc1
InChIInChI=1S/C20H14F3N5OS/c1-29-15-7-10-25-17(16(15)12-5-8-24-9-6-12)18-27-28-19(30-18)26-14-4-2-3-13(11-14)20(21,22)23/h2-11H,1H3,(H,26,28)
InChIKeyRPFYTNRIVDJMAM-UHFFFAOYSA-N
MW429.43 g/mol
LogP5.43
Rot. Bonds5

About 5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine

5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 24958273) has the molecular formula C20H14F3N5OS and a molecular weight of 429.43 g/mol. Its IUPAC name is 5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID24958273
Molecular FormulaC20H14F3N5OS
Molecular Weight429.43 g/mol
Exact Mass429.09
IUPAC Name5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccnc(-c2nnc(Nc3cccc(C(F)(F)F)c3)s2)c1-c1ccncc1
InChIInChI=1S/C20H14F3N5OS/c1-29-15-7-10-25-17(16(15)12-5-8-24-9-6-12)18-27-28-19(30-18)26-14-4-2-3-13(11-14)20(21,22)23/h2-11H,1H3,(H,26,28)
InChIKeyRPFYTNRIVDJMAM-UHFFFAOYSA-N
XLogP5.43
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.43
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

1-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 69442962
N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 10158076
4-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134628417
4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 14347000
4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 126060767
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
methyl 4-chloro-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate
CID 60846127
3,4-dimethoxy-N-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 16825478
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline
CID 54803252
4-methoxy-3-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine
CID 134628418
5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 88887698

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine (CID 24958273) is 5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine is COc1ccnc(-c2nnc(Nc3cccc(C(F)(F)F)c3)s2)c1-c1ccncc1.
What is the InChIKey of 5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RPFYTNRIVDJMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5OS/c1-29-15-7-10-25-17(16(15)12-5-8-24-9-6-12)18-27-28-19(30-18)26-14-4-2-3-13(11-14)20(21,22)23/h2-11H,1H3,(H,26,28).
What are the key properties of 5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 429.43 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24958273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).