N-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine

C19H21FN4OS — CID 53241276

IUPACN-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine
SMILESCCCCN(Cc1ccccc1F)c1nnc(-c2ccnc(OC)c2)s1
InChIInChI=1S/C19H21FN4OS/c1-3-4-11-24(13-15-7-5-6-8-16(15)20)19-23-22-18(26-19)14-9-10-21-17(12-14)25-2/h5-10,12H,3-4,11,13H2,1-2H3
InChIKeyRQFKZXHVRAJMLC-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.55
Rot. Bonds8

About N-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine

N-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine (PubChem CID 53241276) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is N-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine
PubChem CID53241276
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC NameN-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine
SMILESCCCCN(Cc1ccccc1F)c1nnc(-c2ccnc(OC)c2)s1
InChIInChI=1S/C19H21FN4OS/c1-3-4-11-24(13-15-7-5-6-8-16(15)20)19-23-22-18(26-19)14-9-10-21-17(12-14)25-2/h5-10,12H,3-4,11,13H2,1-2H3
InChIKeyRQFKZXHVRAJMLC-UHFFFAOYSA-N
XLogP4.55
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

4-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 936091
1-Allyl-3-(4-methoxy-phenyl)-1-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-urea
CID 1076247
N-(2-Methoxy-ethyl)-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 644535
N-Methyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 651096
N-Ethyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 655154
2-[5-(4-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-pyridine
CID 1166017
N-Ethyl-2-(2-methoxy-phenyl)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1451796
4-[5-[(3-Fluoro-4-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 2089118
4-[5-[2-(4-Fluorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 2432757
N-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 3212762
4-[5-(3-Methoxy-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine
CID 937030
4-[5-[(3-Methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine
CID 2509756

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine (CID 53241276) is N-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine is CCCCN(Cc1ccccc1F)c1nnc(-c2ccnc(OC)c2)s1.
What is the InChIKey of N-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is RQFKZXHVRAJMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-3-4-11-24(13-15-7-5-6-8-16(15)20)19-23-22-18(26-19)14-9-10-21-17(12-14)25-2/h5-10,12H,3-4,11,13H2,1-2H3.
What are the key properties of N-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine?
N-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 372.47 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 53241276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).