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

C11H14F2N2S — CID 167048093

IUPAC2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
SMILESFC(F)c1nc2c(s1)CC1(CCNCC1)C2
InChIInChI=1S/C11H14F2N2S/c12-9(13)10-15-7-5-11(6-8(7)16-10)1-3-14-4-2-11/h9,14H,1-6H2
InChIKeyNPCHXUANHCHQSE-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.55
Rot. Bonds1

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

2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] (PubChem CID 167048093) has the molecular formula C11H14F2N2S and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine].

Molecular Properties

Compound Name2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
PubChem CID167048093
Molecular FormulaC11H14F2N2S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
SMILESFC(F)c1nc2c(s1)CC1(CCNCC1)C2
InChIInChI=1S/C11H14F2N2S/c12-9(13)10-15-7-5-11(6-8(7)16-10)1-3-14-4-2-11/h9,14H,1-6H2
InChIKeyNPCHXUANHCHQSE-UHFFFAOYSA-N
XLogP2.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dihydro-2-(3-piperidinyl)-4H-cyclopentathiazole
CID 24261809
4-(4H,5H,6H-cyclopenta(d)(1,3)thiazol-2-yl)piperidine
CID 24261830
4-((4H,5H,6H-cyclopenta(d)(1,3)thiazol-2-yl)methyl)piperidine
CID 24262114
4-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidine hydrochloride
CID 177800580
2-(Difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167047849
(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 167048104
tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium
CID 175736614
2-(Difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 175736624
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755098
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755102
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757028
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757429

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?
The IUPAC name of 2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] (CID 167048093) is 2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine].
What is the SMILES notation for 2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?
The canonical SMILES for 2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] is FC(F)c1nc2c(s1)CC1(CCNCC1)C2.
What is the InChIKey of 2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?
The InChIKey is NPCHXUANHCHQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2S/c12-9(13)10-15-7-5-11(6-8(7)16-10)1-3-14-4-2-11/h9,14H,1-6H2.
What are the key properties of 2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?
2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] has a molecular weight of 244.31 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] is sourced from PubChem (CID 167048093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).