2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole

C18H17ClN4OS — CID 133494666

IUPAC2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole
SMILESClc1ccc(Cc2nnc(N3CCC(Oc4cccnc4)C3)s2)cc1
InChIInChI=1S/C18H17ClN4OS/c19-14-5-3-13(4-6-14)10-17-21-22-18(25-17)23-9-7-16(12-23)24-15-2-1-8-20-11-15/h1-6,8,11,16H,7,9-10,12H2
InChIKeyFIURCEXUYJQYGN-UHFFFAOYSA-N
MW372.88 g/mol
LogP3.84
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole

2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole (PubChem CID 133494666) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole
PubChem CID133494666
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC Name2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole
SMILESClc1ccc(Cc2nnc(N3CCC(Oc4cccnc4)C3)s2)cc1
InChIInChI=1S/C18H17ClN4OS/c19-14-5-3-13(4-6-14)10-17-21-22-18(25-17)23-9-7-16(12-23)24-15-2-1-8-20-11-15/h1-6,8,11,16H,7,9-10,12H2
InChIKeyFIURCEXUYJQYGN-UHFFFAOYSA-N
XLogP3.84
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole
CID 133493646
2-[(4-chlorophenyl)methyl]-5-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 133493700
2-[(4-chlorophenyl)methyl]-5-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-1,3,4-thiadiazole
CID 133494277
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133406355
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
2-tert-butyl-5-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 133406440
2-benzyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,4-thiadiazole
CID 133452104
2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 133493703
2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine
CID 133456570
2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 121256477
2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996519
2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185901

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole (CID 133494666) is 2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole is Clc1ccc(Cc2nnc(N3CCC(Oc4cccnc4)C3)s2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is FIURCEXUYJQYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS/c19-14-5-3-13(4-6-14)10-17-21-22-18(25-17)23-9-7-16(12-23)24-15-2-1-8-20-11-15/h1-6,8,11,16H,7,9-10,12H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole?
2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 372.88 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 133494666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).