N-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine

C16H19F3N4S2 — CID 120845400

IUPACN-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine
SMILESFC(F)(F)c1ncc(CN(Cc2nccs2)C2CC23CCNCC3)s1
InChIInChI=1S/C16H19F3N4S2/c17-16(18,19)14-22-8-11(25-14)9-23(10-13-21-5-6-24-13)12-7-15(12)1-3-20-4-2-15/h5-6,8,12,20H,1-4,7,9-10H2
InChIKeyBSKYWJMEEQNIAB-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.76
Rot. Bonds5

About N-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine

N-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine (PubChem CID 120845400) has the molecular formula C16H19F3N4S2 and a molecular weight of 388.48 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine
PubChem CID120845400
Molecular FormulaC16H19F3N4S2
Molecular Weight388.48 g/mol
Exact Mass388.10
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine
SMILESFC(F)(F)c1ncc(CN(Cc2nccs2)C2CC23CCNCC3)s1
InChIInChI=1S/C16H19F3N4S2/c17-16(18,19)14-22-8-11(25-14)9-23(10-13-21-5-6-24-13)12-7-15(12)1-3-20-4-2-15/h5-6,8,12,20H,1-4,7,9-10H2
InChIKeyBSKYWJMEEQNIAB-UHFFFAOYSA-N
XLogP3.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine (CID 120845400) is N-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine is FC(F)(F)c1ncc(CN(Cc2nccs2)C2CC23CCNCC3)s1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine?
The InChIKey is BSKYWJMEEQNIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4S2/c17-16(18,19)14-22-8-11(25-14)9-23(10-13-21-5-6-24-13)12-7-15(12)1-3-20-4-2-15/h5-6,8,12,20H,1-4,7,9-10H2.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine?
N-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine has a molecular weight of 388.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 120845400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).