N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3-thiazol-2-amine

C8H11FN2S — CID 130636508

IUPACN-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(NCC2(F)CC2)s1
InChIInChI=1S/C8H11FN2S/c1-6-4-10-7(12-6)11-5-8(9)2-3-8/h4H,2-3,5H2,1H3,(H,10,11)
InChIKeyIYSHSCOVLYZKOI-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.37
Rot. Bonds3

About N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3-thiazol-2-amine

N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 130636508) has the molecular formula C8H11FN2S and a molecular weight of 186.25 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID130636508
Molecular FormulaC8H11FN2S
Molecular Weight186.25 g/mol
Exact Mass186.06
IUPAC NameN-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(NCC2(F)CC2)s1
InChIInChI=1S/C8H11FN2S/c1-6-4-10-7(12-6)11-5-8(9)2-3-8/h4H,2-3,5H2,1H3,(H,10,11)
InChIKeyIYSHSCOVLYZKOI-UHFFFAOYSA-N
XLogP2.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3-thiazol-2-amine (CID 130636508) is N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3-thiazol-2-amine is Cc1cnc(NCC2(F)CC2)s1.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is IYSHSCOVLYZKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2S/c1-6-4-10-7(12-6)11-5-8(9)2-3-8/h4H,2-3,5H2,1H3,(H,10,11).
What are the key properties of N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3-thiazol-2-amine?
N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 186.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 130636508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).