2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride

C10H9ClF2N4S — CID 142693097

IUPAC2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nc(-c2cc(F)cc(F)c2)cs1
InChIInChI=1S/C10H8F2N4S.ClH/c11-6-1-5(2-7(12)3-6)8-4-17-10(15-8)16-9(13)14;/h1-4H,(H4,13,14,15,16);1H
InChIKeyBNJKKMKEYVIKFX-UHFFFAOYSA-N
MW290.73 g/mol
LogP2.41
Rot. Bonds2

About 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride

2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride (PubChem CID 142693097) has the molecular formula C10H9ClF2N4S and a molecular weight of 290.73 g/mol. Its IUPAC name is 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
PubChem CID142693097
Molecular FormulaC10H9ClF2N4S
Molecular Weight290.73 g/mol
Exact Mass290.02
IUPAC Name2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nc(-c2cc(F)cc(F)c2)cs1
InChIInChI=1S/C10H8F2N4S.ClH/c11-6-1-5(2-7(12)3-6)8-4-17-10(15-8)16-9(13)14;/h1-4H,(H4,13,14,15,16);1H
InChIKeyBNJKKMKEYVIKFX-UHFFFAOYSA-N
XLogP2.41
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 52.41
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-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride?
The IUPAC name of 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride (CID 142693097) is 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride.
What is the SMILES notation for 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride?
The canonical SMILES for 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride is Cl.NC(N)=Nc1nc(-c2cc(F)cc(F)c2)cs1.
What is the InChIKey of 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride?
The InChIKey is BNJKKMKEYVIKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4S.ClH/c11-6-1-5(2-7(12)3-6)8-4-17-10(15-8)16-9(13)14;/h1-4H,(H4,13,14,15,16);1H.
What are the key properties of 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride?
2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride has a molecular weight of 290.73 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride is sourced from PubChem (CID 142693097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).