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

C12H17F3N4S — CID 107305462

IUPACN-(cyclopropylmethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine
SMILESFC(F)(F)c1nsc(N2CCC(NCC3CC3)CC2)n1
InChIInChI=1S/C12H17F3N4S/c13-12(14,15)10-17-11(20-18-10)19-5-3-9(4-6-19)16-7-8-1-2-8/h8-9,16H,1-7H2
InChIKeyKUGARYCQQSESNI-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.53
Rot. Bonds4

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

N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine (PubChem CID 107305462) has the molecular formula C12H17F3N4S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine
PubChem CID107305462
Molecular FormulaC12H17F3N4S
Molecular Weight306.36 g/mol
Exact Mass306.11
IUPAC NameN-(cyclopropylmethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine
SMILESFC(F)(F)c1nsc(N2CCC(NCC3CC3)CC2)n1
InChIInChI=1S/C12H17F3N4S/c13-12(14,15)10-17-11(20-18-10)19-5-3-9(4-6-19)16-7-8-1-2-8/h8-9,16H,1-7H2
InChIKeyKUGARYCQQSESNI-UHFFFAOYSA-N
XLogP2.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine (CID 107305462) is N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine is FC(F)(F)c1nsc(N2CCC(NCC3CC3)CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine?
The InChIKey is KUGARYCQQSESNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4S/c13-12(14,15)10-17-11(20-18-10)19-5-3-9(4-6-19)16-7-8-1-2-8/h8-9,16H,1-7H2.
What are the key properties of N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine has a molecular weight of 306.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine is sourced from PubChem (CID 107305462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).