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

C14H20F3N3S — CID 75428420

IUPACN-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCc1csc(C(NC2CCN(CC(F)(F)F)C2)C2CC2)n1
InChIInChI=1S/C14H20F3N3S/c1-9-7-21-13(18-9)12(10-2-3-10)19-11-4-5-20(6-11)8-14(15,16)17/h7,10-12,19H,2-6,8H2,1H3
InChIKeyCNBTYXXSNPEGOC-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.13
Rot. Bonds5

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

N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 75428420) has the molecular formula C14H20F3N3S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID75428420
Molecular FormulaC14H20F3N3S
Molecular Weight319.40 g/mol
Exact Mass319.13
IUPAC NameN-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCc1csc(C(NC2CCN(CC(F)(F)F)C2)C2CC2)n1
InChIInChI=1S/C14H20F3N3S/c1-9-7-21-13(18-9)12(10-2-3-10)19-11-4-5-20(6-11)8-14(15,16)17/h7,10-12,19H,2-6,8H2,1H3
InChIKeyCNBTYXXSNPEGOC-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 75428426
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63238545
N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine
CID 115724057
N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 99637225
(3R)-1-(azepan-1-yl)-3-[[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-one
CID 97232898
1-(azepan-1-yl)-3-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-one
CID 75383314
N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 129330225
N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 95967654
(3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 97230742
N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine
CID 62070387
N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
CID 122156751
(3S)-N-[(2-methylquinolin-6-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 100642514

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 75428420) is N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is Cc1csc(C(NC2CCN(CC(F)(F)F)C2)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is CNBTYXXSNPEGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3S/c1-9-7-21-13(18-9)12(10-2-3-10)19-11-4-5-20(6-11)8-14(15,16)17/h7,10-12,19H,2-6,8H2,1H3.
What are the key properties of N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 319.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 75428420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).