5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine

C10H15F2N3S — CID 174276172

IUPAC5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine
SMILESNCc1cnc(NC2CCC(F)(F)CC2)s1
InChIInChI=1S/C10H15F2N3S/c11-10(12)3-1-7(2-4-10)15-9-14-6-8(5-13)16-9/h6-7H,1-5,13H2,(H,14,15)
InChIKeyBAFDGRKBUYQLIK-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.59
Rot. Bonds3

About 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine

5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine (PubChem CID 174276172) has the molecular formula C10H15F2N3S and a molecular weight of 247.31 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine
PubChem CID174276172
Molecular FormulaC10H15F2N3S
Molecular Weight247.31 g/mol
Exact Mass247.10
IUPAC Name5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine
SMILESNCc1cnc(NC2CCC(F)(F)CC2)s1
InChIInChI=1S/C10H15F2N3S/c11-10(12)3-1-7(2-4-10)15-9-14-6-8(5-13)16-9/h6-7H,1-5,13H2,(H,14,15)
InChIKeyBAFDGRKBUYQLIK-UHFFFAOYSA-N
XLogP2.59
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine (CID 174276172) is 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine is NCc1cnc(NC2CCC(F)(F)CC2)s1.
What is the InChIKey of 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine?
The InChIKey is BAFDGRKBUYQLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3S/c11-10(12)3-1-7(2-4-10)15-9-14-6-8(5-13)16-9/h6-7H,1-5,13H2,(H,14,15).
What are the key properties of 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine has a molecular weight of 247.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 174276172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).