5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde

C10H14F3N3OS — CID 158036361

IUPAC5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde
SMILESNc1ncc(CN2CCCC2)s1.O=CC(F)(F)F
InChIInChI=1S/C8H13N3S.C2HF3O/c9-8-10-5-7(12-8)6-11-3-1-2-4-11;3-2(4,5)1-6/h5H,1-4,6H2,(H2,9,10);1H
InChIKeyFHUHGTKUVZJDMG-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.07
Rot. Bonds2

About 5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde

5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde (PubChem CID 158036361) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde
PubChem CID158036361
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde
SMILESNc1ncc(CN2CCCC2)s1.O=CC(F)(F)F
InChIInChI=1S/C8H13N3S.C2HF3O/c9-8-10-5-7(12-8)6-11-3-1-2-4-11;3-2(4,5)1-6/h5H,1-4,6H2,(H2,9,10);1H
InChIKeyFHUHGTKUVZJDMG-UHFFFAOYSA-N
XLogP2.07
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde?
The IUPAC name of 5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde (CID 158036361) is 5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for 5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for 5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde is Nc1ncc(CN2CCCC2)s1.O=CC(F)(F)F.
What is the InChIKey of 5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde?
The InChIKey is FHUHGTKUVZJDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S.C2HF3O/c9-8-10-5-7(12-8)6-11-3-1-2-4-11;3-2(4,5)1-6/h5H,1-4,6H2,(H2,9,10);1H.
What are the key properties of 5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde?
5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde has a molecular weight of 281.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158036361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).