(3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine

C10H14F3N3S — CID 120966565

IUPAC(3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine
SMILESCc1nc(C(F)(F)F)c(CN2CC[C@H](N)C2)s1
InChIInChI=1S/C10H14F3N3S/c1-6-15-9(10(11,12)13)8(17-6)5-16-3-2-7(14)4-16/h7H,2-5,14H2,1H3/t7-/m0/s1
InChIKeySPXWLEDEGUDYJI-ZETCQYMHSA-N
MW265.30 g/mol
LogP2.00
Rot. Bonds2

About (3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine

(3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine (PubChem CID 120966565) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is (3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine
PubChem CID120966565
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name(3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine
SMILESCc1nc(C(F)(F)F)c(CN2CC[C@H](N)C2)s1
InChIInChI=1S/C10H14F3N3S/c1-6-15-9(10(11,12)13)8(17-6)5-16-3-2-7(14)4-16/h7H,2-5,14H2,1H3/t7-/m0/s1
InChIKeySPXWLEDEGUDYJI-ZETCQYMHSA-N
XLogP2.00
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120965877
3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120967341
1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120966121
1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine
CID 120966315
N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
CID 86791160
(3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine
CID 120836248
1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine
CID 121498902
2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 120966684
5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 120967140
2-methyl-5-[(2-methylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 120966027
(3S)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836368
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119917529

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine (CID 120966565) is (3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine is Cc1nc(C(F)(F)F)c(CN2CC[C@H](N)C2)s1.
What is the InChIKey of (3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine?
The InChIKey is SPXWLEDEGUDYJI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-6-15-9(10(11,12)13)8(17-6)5-16-3-2-7(14)4-16/h7H,2-5,14H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine?
(3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine has a molecular weight of 265.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 120966565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).