4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine

C9H12F2N2S — CID 112562176

IUPAC4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine
SMILESNc1nc(C2CCC(F)(F)CC2)cs1
InChIInChI=1S/C9H12F2N2S/c10-9(11)3-1-6(2-4-9)7-5-14-8(12)13-7/h5-6H,1-4H2,(H2,12,13)
InChIKeyKQURAJAMCYKVHC-UHFFFAOYSA-N
MW218.27 g/mol
LogP3.02
Rot. Bonds1

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

4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine (PubChem CID 112562176) has the molecular formula C9H12F2N2S and a molecular weight of 218.27 g/mol. Its IUPAC name is 4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine
PubChem CID112562176
Molecular FormulaC9H12F2N2S
Molecular Weight218.27 g/mol
Exact Mass218.07
IUPAC Name4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine
SMILESNc1nc(C2CCC(F)(F)CC2)cs1
InChIInChI=1S/C9H12F2N2S/c10-9(11)3-1-6(2-4-9)7-5-14-8(12)13-7/h5-6H,1-4H2,(H2,12,13)
InChIKeyKQURAJAMCYKVHC-UHFFFAOYSA-N
XLogP3.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Cyclohexyl-1,3-thiazol-2-amine
CID 346930
4-(1-Adamantyl)-1,3-thiazol-2-amine
CID 616434
4-Cyclopropyl-1,3-thiazol-2-amine
CID 674456
4-Adamantan-1-ylmethyl-thiazol-2-ylamine
CID 2836061
4-Cyclobutyl-1,3-thiazol-2-amine
CID 22063634
4-Tricyclo[4.3.1.1*3,8*]undec-1-yl-thiazol-2-ylamine
CID 4137288
4-Heptyl-1,3-thiazol-2-amine
CID 24973504
4-(Bicyclo(2.2.1)heptan-2-yl)-1,3-thiazol-2-amine
CID 72474002
4-[4-(Trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine
CID 112562131
4-(Butan-2-yl)-1,3-thiazol-2-amine hydrobromide
CID 137965712
4-(4,4-Dimethylcyclohexyl)-1,3-thiazol-2-amine hydrochloride
CID 145867409
4-(2,2-Difluorocyclopropyl)-1,3-thiazol-2-amine
CID 165692054

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine (CID 112562176) is 4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine is Nc1nc(C2CCC(F)(F)CC2)cs1.
What is the InChIKey of 4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine?
The InChIKey is KQURAJAMCYKVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2S/c10-9(11)3-1-6(2-4-9)7-5-14-8(12)13-7/h5-6H,1-4H2,(H2,12,13).
What are the key properties of 4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine?
4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine has a molecular weight of 218.27 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 112562176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).