2-(difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]

C12H16F2N2S — CID 167047849

IUPAC2-(difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
SMILESCN1CCC2(CC1)Cc1nc(C(F)F)sc1C2
InChIInChI=1S/C12H16F2N2S/c1-16-4-2-12(3-5-16)6-8-9(7-12)17-11(15-8)10(13)14/h10H,2-7H2,1H3
InChIKeyMNFDORXRAONDRB-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.89
Rot. Bonds1

About 2-(difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]

2-(difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] (PubChem CID 167047849) has the molecular formula C12H16F2N2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine].

Molecular Properties

Compound Name2-(difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
PubChem CID167047849
Molecular FormulaC12H16F2N2S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-(difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
SMILESCN1CCC2(CC1)Cc1nc(C(F)F)sc1C2
InChIInChI=1S/C12H16F2N2S/c1-16-4-2-12(3-5-16)6-8-9(7-12)17-11(15-8)10(13)14/h10H,2-7H2,1H3
InChIKeyMNFDORXRAONDRB-UHFFFAOYSA-N
XLogP2.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?
The IUPAC name of 2-(difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] (CID 167047849) is 2-(difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine].
What is the SMILES notation for 2-(difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?
The canonical SMILES for 2-(difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] is CN1CCC2(CC1)Cc1nc(C(F)F)sc1C2.
What is the InChIKey of 2-(difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?
The InChIKey is MNFDORXRAONDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2S/c1-16-4-2-12(3-5-16)6-8-9(7-12)17-11(15-8)10(13)14/h10H,2-7H2,1H3.
What are the key properties of 2-(difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?
2-(difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] has a molecular weight of 258.34 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] is sourced from PubChem (CID 167047849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).