5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine

C8H11F2N3S — CID 131115596

IUPAC5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine
SMILESCc1c(N)nsc1N1CCC(F)(F)C1
InChIInChI=1S/C8H11F2N3S/c1-5-6(11)12-14-7(5)13-3-2-8(9,10)4-13/h2-4H2,1H3,(H2,11,12)
InChIKeyDNBQVVNWNIYNFP-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.88
Rot. Bonds1

About 5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine

5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine (PubChem CID 131115596) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine
PubChem CID131115596
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine
SMILESCc1c(N)nsc1N1CCC(F)(F)C1
InChIInChI=1S/C8H11F2N3S/c1-5-6(11)12-14-7(5)13-3-2-8(9,10)4-13/h2-4H2,1H3,(H2,11,12)
InChIKeyDNBQVVNWNIYNFP-UHFFFAOYSA-N
XLogP1.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine
CID 103360525
4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103365241
4-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazol-3-amine
CID 103361831
5-(4-tert-butylpiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 103360617
3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
CID 103383454
4-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103362422
5-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,2-thiazol-3-amine
CID 103361787
5-(4,4-dimethylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381662
5-(3,3-diethylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103364562
[1-(3-amino-4-methyl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
CID 103361986
2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine
CID 130704965
5-(3-ethoxypiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 103361875

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine?
The IUPAC name of 5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine (CID 131115596) is 5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine is Cc1c(N)nsc1N1CCC(F)(F)C1.
What is the InChIKey of 5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine?
The InChIKey is DNBQVVNWNIYNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c1-5-6(11)12-14-7(5)13-3-2-8(9,10)4-13/h2-4H2,1H3,(H2,11,12).
What are the key properties of 5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine?
5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine has a molecular weight of 219.26 g/mol, XLogP of 1.88, 1 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)-4-methyl-1,2-thiazol-3-amine is sourced from PubChem (CID 131115596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).