5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

C12H14ClF2N3S — CID 120903914

IUPAC5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1cc(F)cc(F)c1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C12H13F2N3S.ClH/c1-17(7-11-5-16-12(15)18-11)6-8-2-9(13)4-10(14)3-8;/h2-5H,6-7H2,1H3,(H2,15,16);1H
InChIKeyVERISRCQDDVRFV-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.06
Rot. Bonds4

About 5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120903914) has the molecular formula C12H14ClF2N3S and a molecular weight of 305.78 g/mol. Its IUPAC name is 5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120903914
Molecular FormulaC12H14ClF2N3S
Molecular Weight305.78 g/mol
Exact Mass305.06
IUPAC Name5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1cc(F)cc(F)c1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C12H13F2N3S.ClH/c1-17(7-11-5-16-12(15)18-11)6-8-2-9(13)4-10(14)3-8;/h2-5H,6-7H2,1H3,(H2,15,16);1H
InChIKeyVERISRCQDDVRFV-UHFFFAOYSA-N
XLogP3.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120903914) is 5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is CN(Cc1cc(F)cc(F)c1)Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is VERISRCQDDVRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3S.ClH/c1-17(7-11-5-16-12(15)18-11)6-8-2-9(13)4-10(14)3-8;/h2-5H,6-7H2,1H3,(H2,15,16);1H.
What are the key properties of 5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 305.78 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120903914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).