cyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone

C14H18F3N3OS — CID 100705200

IUPACcyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CC[C@H](Nc2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C14H18F3N3OS/c15-14(16,17)11-7-18-13(22-11)19-10-5-6-20(8-10)12(21)9-3-1-2-4-9/h7,9-10H,1-6,8H2,(H,18,19)/t10-/m0/s1
InChIKeyMOIHLMUOZJFQKP-JTQLQIEISA-N
MW333.38 g/mol
LogP3.36
Rot. Bonds3

About cyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone

cyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone (PubChem CID 100705200) has the molecular formula C14H18F3N3OS and a molecular weight of 333.38 g/mol. Its IUPAC name is cyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone
PubChem CID100705200
Molecular FormulaC14H18F3N3OS
Molecular Weight333.38 g/mol
Exact Mass333.11
IUPAC Namecyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CC[C@H](Nc2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C14H18F3N3OS/c15-14(16,17)11-7-18-13(22-11)19-10-5-6-20(8-10)12(21)9-3-1-2-4-9/h7,9-10H,1-6,8H2,(H,18,19)/t10-/m0/s1
InChIKeyMOIHLMUOZJFQKP-JTQLQIEISA-N
XLogP3.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone (CID 100705200) is cyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone is O=C(C1CCCC1)N1CC[C@H](Nc2ncc(C(F)(F)F)s2)C1.
What is the InChIKey of cyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone?
The InChIKey is MOIHLMUOZJFQKP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F3N3OS/c15-14(16,17)11-7-18-13(22-11)19-10-5-6-20(8-10)12(21)9-3-1-2-4-9/h7,9-10H,1-6,8H2,(H,18,19)/t10-/m0/s1.
What are the key properties of cyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone?
cyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone has a molecular weight of 333.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 100705200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).