2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine

C19H17ClFN3OS — CID 133456570

IUPAC2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine
SMILESFc1ccc(Cc2nnc(N3CCOC(c4ccc(Cl)cc4)C3)s2)cc1
InChIInChI=1S/C19H17ClFN3OS/c20-15-5-3-14(4-6-15)17-12-24(9-10-25-17)19-23-22-18(26-19)11-13-1-7-16(21)8-2-13/h1-8,17H,9-12H2
InChIKeyWZVSLVKBXRKNIE-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.50
Rot. Bonds4

About 2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine

2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine (PubChem CID 133456570) has the molecular formula C19H17ClFN3OS and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine
PubChem CID133456570
Molecular FormulaC19H17ClFN3OS
Molecular Weight389.88 g/mol
Exact Mass389.08
IUPAC Name2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine
SMILESFc1ccc(Cc2nnc(N3CCOC(c4ccc(Cl)cc4)C3)s2)cc1
InChIInChI=1S/C19H17ClFN3OS/c20-15-5-3-14(4-6-15)17-12-24(9-10-25-17)19-23-22-18(26-19)11-13-1-7-16(21)8-2-13/h1-8,17H,9-12H2
InChIKeyWZVSLVKBXRKNIE-UHFFFAOYSA-N
XLogP4.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(azepan-1-yl)piperidin-1-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133457868
2-[[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 133457681
2-[(4-chlorophenyl)methyl]-5-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 133493700
(4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
CID 133457439
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133457070
2-[(4-fluorophenyl)methyl]-5-(4-methylazepan-1-yl)-1,3,4-thiadiazole
CID 133456989
2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole
CID 133493646
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133457826
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-1,3-thiazole-4-carboxamide
CID 95539381
4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-2-one
CID 133465881
2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013885
2-(4-benzyl-1,4-diazepan-1-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133466273

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine (CID 133456570) is 2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine is Fc1ccc(Cc2nnc(N3CCOC(c4ccc(Cl)cc4)C3)s2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine?
The InChIKey is WZVSLVKBXRKNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3OS/c20-15-5-3-14(4-6-15)17-12-24(9-10-25-17)19-23-22-18(26-19)11-13-1-7-16(21)8-2-13/h1-8,17H,9-12H2.
What are the key properties of 2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine?
2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine has a molecular weight of 389.88 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine is sourced from PubChem (CID 133456570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).