4-fluoro-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

C10H16FN3S — CID 139500306

IUPAC4-fluoro-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(F)c(CN2CCCC2C)s1
InChIInChI=1S/C10H16FN3S/c1-7-4-3-5-14(7)6-8-9(11)13-10(12-2)15-8/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyBZXLXCDRUYHQKF-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.31
Rot. Bonds3

About 4-fluoro-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

4-fluoro-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 139500306) has the molecular formula C10H16FN3S and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-fluoro-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-fluoro-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID139500306
Molecular FormulaC10H16FN3S
Molecular Weight229.32 g/mol
Exact Mass229.10
IUPAC Name4-fluoro-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(F)c(CN2CCCC2C)s1
InChIInChI=1S/C10H16FN3S/c1-7-4-3-5-14(7)6-8-9(11)13-10(12-2)15-8/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyBZXLXCDRUYHQKF-UHFFFAOYSA-N
XLogP2.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-fluoro-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 139500306) is 4-fluoro-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-fluoro-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-fluoro-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is CNc1nc(F)c(CN2CCCC2C)s1.
What is the InChIKey of 4-fluoro-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is BZXLXCDRUYHQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3S/c1-7-4-3-5-14(7)6-8-9(11)13-10(12-2)15-8/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 4-fluoro-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
4-fluoro-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 229.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 139500306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).