1-(4-fluorophenyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]piperidin-4-amine

C16H21FN4S2 — CID 131888863

IUPAC1-(4-fluorophenyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]piperidin-4-amine
SMILESCc1nnc(SCCNC2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C16H21FN4S2/c1-12-19-20-16(23-12)22-11-8-18-14-6-9-21(10-7-14)15-4-2-13(17)3-5-15/h2-5,14,18H,6-11H2,1H3
InChIKeyDSGUACIWZVWTOS-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.34
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]piperidin-4-amine

1-(4-fluorophenyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]piperidin-4-amine (PubChem CID 131888863) has the molecular formula C16H21FN4S2 and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]piperidin-4-amine
PubChem CID131888863
Molecular FormulaC16H21FN4S2
Molecular Weight352.50 g/mol
Exact Mass352.12
IUPAC Name1-(4-fluorophenyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]piperidin-4-amine
SMILESCc1nnc(SCCNC2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C16H21FN4S2/c1-12-19-20-16(23-12)22-11-8-18-14-6-9-21(10-7-14)15-4-2-13(17)3-5-15/h2-5,14,18H,6-11H2,1H3
InChIKeyDSGUACIWZVWTOS-UHFFFAOYSA-N
XLogP3.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine
CID 62576401
N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 61386393
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 3574156
1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 107524859
[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 68772038
N-[[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 63809633
2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]acetonitrile
CID 117004659
1-(3,5-difluorophenyl)-N-ethylpiperidin-4-amine
CID 43315453
2-methyl-5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-thiadiazole
CID 135334487
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
CID 125447400
4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol
CID 46989155

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]piperidin-4-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]piperidin-4-amine (CID 131888863) is 1-(4-fluorophenyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]piperidin-4-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]piperidin-4-amine is Cc1nnc(SCCNC2CCN(c3ccc(F)cc3)CC2)s1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]piperidin-4-amine?
The InChIKey is DSGUACIWZVWTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4S2/c1-12-19-20-16(23-12)22-11-8-18-14-6-9-21(10-7-14)15-4-2-13(17)3-5-15/h2-5,14,18H,6-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]piperidin-4-amine?
1-(4-fluorophenyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]piperidin-4-amine has a molecular weight of 352.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]piperidin-4-amine is sourced from PubChem (CID 131888863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).