5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

C12H14ClF2N3S — CID 120898326

IUPAC5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1ccc(F)c(F)c1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C12H13F2N3S.ClH/c1-17(7-9-5-16-12(15)18-9)6-8-2-3-10(13)11(14)4-8;/h2-5H,6-7H2,1H3,(H2,15,16);1H
InChIKeyCZPMULKBVVLMKU-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.06
Rot. Bonds4

About 5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120898326) has the molecular formula C12H14ClF2N3S and a molecular weight of 305.78 g/mol. Its IUPAC name is 5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120898326
Molecular FormulaC12H14ClF2N3S
Molecular Weight305.78 g/mol
Exact Mass305.06
IUPAC Name5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1ccc(F)c(F)c1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C12H13F2N3S.ClH/c1-17(7-9-5-16-12(15)18-9)6-8-2-3-10(13)11(14)4-8;/h2-5H,6-7H2,1H3,(H2,15,16);1H
InChIKeyCZPMULKBVVLMKU-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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Related Compounds

5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897486
5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903914
5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79772146
5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 79772147
5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900901
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902294
5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900861
5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120897457
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771928
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 79765216
5-[[(5-bromo-2-fluorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903083
2-[(2-amino-1,3-thiazol-5-yl)methyl-[(3-fluorophenyl)methyl]amino]ethanol;hydrochloride
CID 120905497

Frequently Asked Questions

What is the IUPAC name of 5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120898326) is 5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is CN(Cc1ccc(F)c(F)c1)Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is CZPMULKBVVLMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3S.ClH/c1-17(7-9-5-16-12(15)18-9)6-8-2-3-10(13)11(14)4-8;/h2-5H,6-7H2,1H3,(H2,15,16);1H.
What are the key properties of 5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[(3,4-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-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120898326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).