4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine

C11H17F3N4S — CID 103364108

IUPAC4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H17F3N4S/c1-7-9(15)17-19-10(7)16-4-8-2-3-18(5-8)6-11(12,13)14/h8,16H,2-6H2,1H3,(H2,15,17)
InChIKeyLYWPCAHFGGABFS-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.33
Rot. Bonds4

About 4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine

4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103364108) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine
PubChem CID103364108
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC Name4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H17F3N4S/c1-7-9(15)17-19-10(7)16-4-8-2-3-18(5-8)6-11(12,13)14/h8,16H,2-6H2,1H3,(H2,15,17)
InChIKeyLYWPCAHFGGABFS-UHFFFAOYSA-N
XLogP2.33
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360596
5-N-ethyl-4-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360706
4-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360727
4-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361148
5-N,4-dimethyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363222
4-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103363598
4-methylsulfanyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine
CID 103364106
4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine
CID 103364109
5-N-(2,2-difluoroethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103364765
4-methyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364950
4-methyl-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103364977
5-N-(2,2-difluoroethyl)-5-N,4-dimethyl-1,2-thiazole-3,5-diamine
CID 103365692

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine (CID 103364108) is 4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is LYWPCAHFGGABFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-7-9(15)17-19-10(7)16-4-8-2-3-18(5-8)6-11(12,13)14/h8,16H,2-6H2,1H3,(H2,15,17).
What are the key properties of 4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine?
4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 294.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).