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

C9H13F2N3S — CID 174276405

IUPAC5-(aminomethyl)-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine
SMILESNCc1cnc(NCC2CC(F)(F)C2)s1
InChIInChI=1S/C9H13F2N3S/c10-9(11)1-6(2-9)4-13-8-14-5-7(3-12)15-8/h5-6H,1-4,12H2,(H,13,14)
InChIKeyBOTJGTCTUXGEKL-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.06
Rot. Bonds4

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

5-(aminomethyl)-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine (PubChem CID 174276405) has the molecular formula C9H13F2N3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine
PubChem CID174276405
Molecular FormulaC9H13F2N3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name5-(aminomethyl)-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine
SMILESNCc1cnc(NCC2CC(F)(F)C2)s1
InChIInChI=1S/C9H13F2N3S/c10-9(11)1-6(2-9)4-13-8-14-5-7(3-12)15-8/h5-6H,1-4,12H2,(H,13,14)
InChIKeyBOTJGTCTUXGEKL-UHFFFAOYSA-N
XLogP2.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine (CID 174276405) is 5-(aminomethyl)-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine is NCc1cnc(NCC2CC(F)(F)C2)s1.
What is the InChIKey of 5-(aminomethyl)-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is BOTJGTCTUXGEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3S/c10-9(11)1-6(2-9)4-13-8-14-5-7(3-12)15-8/h5-6H,1-4,12H2,(H,13,14).
What are the key properties of 5-(aminomethyl)-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine?
5-(aminomethyl)-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 233.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 174276405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).