5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole

C12H16F3N3S — CID 134790024

IUPAC5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole
SMILESCc1cnc(N2CC3CCC(C2)N3CC(F)(F)F)s1
InChIInChI=1S/C12H16F3N3S/c1-8-4-16-11(19-8)17-5-9-2-3-10(6-17)18(9)7-12(13,14)15/h4,9-10H,2-3,5-7H2,1H3
InChIKeyMJMSBAQDDDCNFD-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.67
Rot. Bonds2

About 5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole

5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole (PubChem CID 134790024) has the molecular formula C12H16F3N3S and a molecular weight of 291.34 g/mol. Its IUPAC name is 5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole
PubChem CID134790024
Molecular FormulaC12H16F3N3S
Molecular Weight291.34 g/mol
Exact Mass291.10
IUPAC Name5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole
SMILESCc1cnc(N2CC3CCC(C2)N3CC(F)(F)F)s1
InChIInChI=1S/C12H16F3N3S/c1-8-4-16-11(19-8)17-5-9-2-3-10(6-17)18(9)7-12(13,14)15/h4,9-10H,2-3,5-7H2,1H3
InChIKeyMJMSBAQDDDCNFD-UHFFFAOYSA-N
XLogP2.67
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole with MolForge

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Related Compounds

2-[8-(2,2,2-Trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole-5-carbonitrile
CID 134791457
2-[8-(2,2,2-Trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole
CID 134790741
4,4-Difluoro-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidine
CID 77091277
5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 124729601
(3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 164637805
2-(4-Tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 59776844
2-(3,3-Difluoropyrrolidin-1-yl)-5-methyl-1,3-thiazole
CID 89652816
2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methyl-1,3-thiazole
CID 89652817
5-(Fluoromethyl)-2-piperidin-1-yl-1,3-thiazole
CID 90154893
1-(5-Methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine
CID 123961253
2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 133521928
5-Methyl-2-piperidin-1-yl-1,3-thiazole
CID 67356988

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole (CID 134790024) is 5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole is Cc1cnc(N2CC3CCC(C2)N3CC(F)(F)F)s1.
What is the InChIKey of 5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole?
The InChIKey is MJMSBAQDDDCNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3S/c1-8-4-16-11(19-8)17-5-9-2-3-10(6-17)18(9)7-12(13,14)15/h4,9-10H,2-3,5-7H2,1H3.
What are the key properties of 5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole?
5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole has a molecular weight of 291.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole is sourced from PubChem (CID 134790024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).