5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

C8H11F2N3S — CID 120902687

IUPAC5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(F)(F)C2)s1
InChIInChI=1S/C8H11F2N3S/c9-8(10)1-2-13(5-8)4-6-3-12-7(11)14-6/h3H,1-2,4-5H2,(H2,11,12)
InChIKeyGYTDBCBTZZSUBT-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.57
Rot. Bonds2

About 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120902687) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120902687
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(F)(F)C2)s1
InChIInChI=1S/C8H11F2N3S/c9-8(10)1-2-13(5-8)4-6-3-12-7(11)14-6/h3H,1-2,4-5H2,(H2,11,12)
InChIKeyGYTDBCBTZZSUBT-UHFFFAOYSA-N
XLogP1.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Trifluoromethyl)-1,3-thiazol-2-amine
CID 15388849
4,4-Difluoro-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidine
CID 77091277
5-(Aminomethyl)-1,3-thiazol-2-amine
CID 22064894
5-(Trifluoromethyl)thiazol-2-amine hydrochloride
CID 56956237
5-(Difluoromethyl)thiazol-2-amine
CID 84649380
5-(Pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
CID 87112186
2-(3,3-Difluoropyrrolidin-1-yl)-5-methyl-1,3-thiazole
CID 89652816
2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methyl-1,3-thiazole
CID 89652817
N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 139500937
Ethane;5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 144410128
5-(Pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde
CID 158036361
Cyclohexane;5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 168914029

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 120902687) is 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCC(F)(F)C2)s1.
What is the InChIKey of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is GYTDBCBTZZSUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c9-8(10)1-2-13(5-8)4-6-3-12-7(11)14-6/h3H,1-2,4-5H2,(H2,11,12).
What are the key properties of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 219.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120902687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).