2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine

C10H14F2N4S — CID 136536293

IUPAC2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(C2CCC(F)(F)CC2)cs1
InChIInChI=1S/C10H14F2N4S/c11-10(12)3-1-6(2-4-10)7-5-17-9(15-7)16-8(13)14/h5-6H,1-4H2,(H4,13,14,15,16)
InChIKeyXDZUSRVGYDRCHK-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.34
Rot. Bonds2

About 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine

2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine (PubChem CID 136536293) has the molecular formula C10H14F2N4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine
PubChem CID136536293
Molecular FormulaC10H14F2N4S
Molecular Weight260.31 g/mol
Exact Mass260.09
IUPAC Name2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(C2CCC(F)(F)CC2)cs1
InChIInChI=1S/C10H14F2N4S/c11-10(12)3-1-6(2-4-10)7-5-17-9(15-7)16-8(13)14/h5-6H,1-4H2,(H4,13,14,15,16)
InChIKeyXDZUSRVGYDRCHK-UHFFFAOYSA-N
XLogP2.34
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine (CID 136536293) is 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine is NC(N)=Nc1nc(C2CCC(F)(F)CC2)cs1.
What is the InChIKey of 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is XDZUSRVGYDRCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4S/c11-10(12)3-1-6(2-4-10)7-5-17-9(15-7)16-8(13)14/h5-6H,1-4H2,(H4,13,14,15,16).
What are the key properties of 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine?
2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 260.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 136536293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).