(2-fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine

C8H11FN2S — CID 131003034

IUPAC(2-fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine
SMILESCC1(C(N)c2ccsn2)CC1F
InChIInChI=1S/C8H11FN2S/c1-8(4-6(8)9)7(10)5-2-3-12-11-5/h2-3,6-7H,4,10H2,1H3
InChIKeyNAEHJUUNNPYMJN-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.89
Rot. Bonds2

About (2-fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine

(2-fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine (PubChem CID 131003034) has the molecular formula C8H11FN2S and a molecular weight of 186.26 g/mol. Its IUPAC name is (2-fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine
PubChem CID131003034
Molecular FormulaC8H11FN2S
Molecular Weight186.26 g/mol
Exact Mass186.06
IUPAC Name(2-fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine
SMILESCC1(C(N)c2ccsn2)CC1F
InChIInChI=1S/C8H11FN2S/c1-8(4-6(8)9)7(10)5-2-3-12-11-5/h2-3,6-7H,4,10H2,1H3
InChIKeyNAEHJUUNNPYMJN-UHFFFAOYSA-N
XLogP1.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine?
The IUPAC name of (2-fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine (CID 131003034) is (2-fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for (2-fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for (2-fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine is CC1(C(N)c2ccsn2)CC1F.
What is the InChIKey of (2-fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine?
The InChIKey is NAEHJUUNNPYMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2S/c1-8(4-6(8)9)7(10)5-2-3-12-11-5/h2-3,6-7H,4,10H2,1H3.
What are the key properties of (2-fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine?
(2-fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine has a molecular weight of 186.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 131003034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).