N-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine

C19H27FN4S — CID 70974816

IUPACN-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(CNc1nc(CCC2CCCCN2)ns1)c1ccc(F)cc1
InChIInChI=1S/C19H27FN4S/c1-19(2,14-6-8-15(20)9-7-14)13-22-18-23-17(24-25-18)11-10-16-5-3-4-12-21-16/h6-9,16,21H,3-5,10-13H2,1-2H3,(H,22,23,24)
InChIKeyANQYBQNJTXSYFB-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.14
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine

N-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 70974816) has the molecular formula C19H27FN4S and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID70974816
Molecular FormulaC19H27FN4S
Molecular Weight362.52 g/mol
Exact Mass362.19
IUPAC NameN-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(CNc1nc(CCC2CCCCN2)ns1)c1ccc(F)cc1
InChIInChI=1S/C19H27FN4S/c1-19(2,14-6-8-15(20)9-7-14)13-22-18-23-17(24-25-18)11-10-16-5-3-4-12-21-16/h6-9,16,21H,3-5,10-13H2,1-2H3,(H,22,23,24)
InChIKeyANQYBQNJTXSYFB-UHFFFAOYSA-N
XLogP4.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine
CID 70975274
3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 70975256
N-[[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 70977598
methyl 5-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]pentanoate
CID 146704726
3-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine
CID 70975060
3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine
CID 104973321
2-methyl-N-(piperidin-2-ylmethyl)-2-pyridin-4-ylpropan-1-amine
CID 115209463
(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634173
4-fluoro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide
CID 58315755
4-(2-methylpropyl)-2-(2-piperidin-2-ylethyl)-1,3-thiazole
CID 116968484
2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride
CID 72716584
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
CID 43329124

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine (CID 70974816) is N-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine is CC(C)(CNc1nc(CCC2CCCCN2)ns1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ANQYBQNJTXSYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4S/c1-19(2,14-6-8-15(20)9-7-14)13-22-18-23-17(24-25-18)11-10-16-5-3-4-12-21-16/h6-9,16,21H,3-5,10-13H2,1-2H3,(H,22,23,24).
What are the key properties of N-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine?
N-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 362.52 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 70974816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).