4-(difluoromethyl)-1,3-thiazol-2-amine;hydrochloride

C4H5ClF2N2S — CID 117274215

IUPAC4-(difluoromethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(C(F)F)cs1
InChIInChI=1S/C4H4F2N2S.ClH/c5-3(6)2-1-9-4(7)8-2;/h1,3H,(H2,7,8);1H
InChIKeyGKJXQOQOVKYZIE-UHFFFAOYSA-N
MW186.61 g/mol
LogP2.08
Rot. Bonds1

About 4-(difluoromethyl)-1,3-thiazol-2-amine;hydrochloride

4-(difluoromethyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 117274215) has the molecular formula C4H5ClF2N2S and a molecular weight of 186.61 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID117274215
Molecular FormulaC4H5ClF2N2S
Molecular Weight186.61 g/mol
Exact Mass185.98
IUPAC Name4-(difluoromethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(C(F)F)cs1
InChIInChI=1S/C4H4F2N2S.ClH/c5-3(6)2-1-9-4(7)8-2;/h1,3H,(H2,7,8);1H
InChIKeyGKJXQOQOVKYZIE-UHFFFAOYSA-N
XLogP2.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-(difluoromethyl)-1,3-thiazol-2-amine;hydrochloride (CID 117274215) is 4-(difluoromethyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(difluoromethyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(difluoromethyl)-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1nc(C(F)F)cs1.
What is the InChIKey of 4-(difluoromethyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is GKJXQOQOVKYZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2S.ClH/c5-3(6)2-1-9-4(7)8-2;/h1,3H,(H2,7,8);1H.
What are the key properties of 4-(difluoromethyl)-1,3-thiazol-2-amine;hydrochloride?
4-(difluoromethyl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 186.61 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 117274215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).