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

C13H20F3N3S — CID 60856325

IUPAC1-(4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCc1ncsc1C(C)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C13H20F3N3S/c1-9(12-10(2)18-8-20-12)17-5-11-3-4-19(6-11)7-13(14,15)16/h8-9,11,17H,3-7H2,1-2H3
InChIKeyRRARQZIYPIFWKC-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.99
Rot. Bonds5

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

1-(4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 60856325) has the molecular formula C13H20F3N3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID60856325
Molecular FormulaC13H20F3N3S
Molecular Weight307.38 g/mol
Exact Mass307.13
IUPAC Name1-(4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCc1ncsc1C(C)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C13H20F3N3S/c1-9(12-10(2)18-8-20-12)17-5-11-3-4-19(6-11)7-13(14,15)16/h8-9,11,17H,3-7H2,1-2H3
InChIKeyRRARQZIYPIFWKC-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

Methyl({1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethyl})amine
CID 61287604
{[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl}(methyl)amine
CID 119030874
(3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 97055460
1-(4-Methyl-1,3-thiazol-5-yl)ethanamine
CID 19829274
1-[1-[4-(Trifluoromethyl)-1,3-thiazol-5-yl]ethyl]piperidin-4-amine
CID 117721282
2-(3,3-Difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 118297236
2-(3,3-Difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 118297245
2-(4,4-Difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 118297296
2-(4,4-Difluoro-2-methylpiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 124183607
4-(Difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole
CID 167114562
2-[4-(Difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine
CID 167114569
2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 43755114

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine (CID 60856325) is 1-(4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine is Cc1ncsc1C(C)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is RRARQZIYPIFWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S/c1-9(12-10(2)18-8-20-12)17-5-11-3-4-19(6-11)7-13(14,15)16/h8-9,11,17H,3-7H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
1-(4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 307.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 60856325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).