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

C16H18F4N4S — CID 25022336

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(c1nnc(C(F)(F)F)s1)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H18F4N4S/c1-23(15-22-21-14(25-15)16(18,19)20)13-6-8-24(9-7-13)10-11-2-4-12(17)5-3-11/h2-5,13H,6-10H2,1H3
InChIKeyCNACNOLPOQCKGB-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.80
Rot. Bonds4

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

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 25022336) has the molecular formula C16H18F4N4S and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID25022336
Molecular FormulaC16H18F4N4S
Molecular Weight374.41 g/mol
Exact Mass374.12
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(c1nnc(C(F)(F)F)s1)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H18F4N4S/c1-23(15-22-21-14(25-15)16(18,19)20)13-6-8-24(9-7-13)10-11-2-4-12(17)5-3-11/h2-5,13H,6-10H2,1H3
InChIKeyCNACNOLPOQCKGB-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 25022336) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CN(c1nnc(C(F)(F)F)s1)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CNACNOLPOQCKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N4S/c1-23(15-22-21-14(25-15)16(18,19)20)13-6-8-24(9-7-13)10-11-2-4-12(17)5-3-11/h2-5,13H,6-10H2,1H3.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 374.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 25022336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).