(3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine

C12H18F3N3S — CID 164637805

IUPAC(3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
SMILESCCN(CC)[C@H]1CCN(c2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H18F3N3S/c1-3-17(4-2)9-5-6-18(8-9)11-16-7-10(19-11)12(13,14)15/h7,9H,3-6,8H2,1-2H3/t9-/m0/s1
InChIKeyOKAQRJFMPNZRBQ-VIFPVBQESA-N
MW293.36 g/mol
LogP3.08
Rot. Bonds4

About (3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine

(3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine (PubChem CID 164637805) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is (3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
PubChem CID164637805
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name(3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
SMILESCCN(CC)[C@H]1CCN(c2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H18F3N3S/c1-3-17(4-2)9-5-6-18(8-9)11-16-7-10(19-11)12(13,14)15/h7,9H,3-6,8H2,1-2H3/t9-/m0/s1
InChIKeyOKAQRJFMPNZRBQ-VIFPVBQESA-N
XLogP3.08
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 55160506
methyl 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80571323
2-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]propan-1-ol
CID 138003377
N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 154839168
N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 72868639
1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid
CID 122064404
[4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 63520638
[2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 63520639
6-[3-(diethylamino)pyrrolidin-1-yl]pyridin-3-amine
CID 55158197
4-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 80688176
5-bromo-6-[3-(diethylamino)pyrrolidin-1-yl]-4-methylpyridin-3-amine
CID 104506822
2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide
CID 124875294

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine (CID 164637805) is (3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine is CCN(CC)[C@H]1CCN(c2ncc(C(F)(F)F)s2)C1.
What is the InChIKey of (3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The InChIKey is OKAQRJFMPNZRBQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-3-17(4-2)9-5-6-18(8-9)11-16-7-10(19-11)12(13,14)15/h7,9H,3-6,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
(3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine has a molecular weight of 293.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 164637805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).