4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine

C18H22F2N4O3S — CID 24659252

IUPAC4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine
SMILESCOc1cc(CSc2nnc(N3CCOCC3)n2C2CC2)ccc1OC(F)F
InChIInChI=1S/C18H22F2N4O3S/c1-25-15-10-12(2-5-14(15)27-16(19)20)11-28-18-22-21-17(24(18)13-3-4-13)23-6-8-26-9-7-23/h2,5,10,13,16H,3-4,6-9,11H2,1H3
InChIKeyZUYVTBCDFXXXHY-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.35
Rot. Bonds8

About 4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine

4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine (PubChem CID 24659252) has the molecular formula C18H22F2N4O3S and a molecular weight of 412.46 g/mol. Its IUPAC name is 4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine
PubChem CID24659252
Molecular FormulaC18H22F2N4O3S
Molecular Weight412.46 g/mol
Exact Mass412.14
IUPAC Name4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine
SMILESCOc1cc(CSc2nnc(N3CCOCC3)n2C2CC2)ccc1OC(F)F
InChIInChI=1S/C18H22F2N4O3S/c1-25-15-10-12(2-5-14(15)27-16(19)20)11-28-18-22-21-17(24(18)13-3-4-13)23-6-8-26-9-7-23/h2,5,10,13,16H,3-4,6-9,11H2,1H3
InChIKeyZUYVTBCDFXXXHY-UHFFFAOYSA-N
XLogP3.35
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine with MolForge

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Related Compounds

1-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]piperidine
CID 24613602
3,4-dicyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazole
CID 9028316
4-cyclopropyl-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole
CID 46822939
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 8506358
4-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide
CID 16585976
4-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-(oxan-3-yl)-1,2,4-triazol-3-yl]morpholine
CID 167962801
1-[5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]-4-methylpiperidine
CID 55496743
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 43411562
4-[4-cyclopropyl-5-[(1R)-1-(2,4-difluorophenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine
CID 52505096
1-[5-[(4-bromophenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]piperidine
CID 42160705
4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]morpholine
CID 60604434
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]pyrazin-2-amine
CID 106679000

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine (CID 24659252) is 4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine is COc1cc(CSc2nnc(N3CCOCC3)n2C2CC2)ccc1OC(F)F.
What is the InChIKey of 4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine?
The InChIKey is ZUYVTBCDFXXXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O3S/c1-25-15-10-12(2-5-14(15)27-16(19)20)11-28-18-22-21-17(24(18)13-3-4-13)23-6-8-26-9-7-23/h2,5,10,13,16H,3-4,6-9,11H2,1H3.
What are the key properties of 4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine?
4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine has a molecular weight of 412.46 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 24659252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).