1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride

C11H11ClF2N2S — CID 155977994

IUPAC1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride
SMILESCl.Fc1ccc(CNCc2nccs2)cc1F
InChIInChI=1S/C11H10F2N2S.ClH/c12-9-2-1-8(5-10(9)13)6-14-7-11-15-3-4-16-11;/h1-5,14H,6-7H2;1H
InChIKeyBMEZEVXVCRINCD-UHFFFAOYSA-N
MW276.74 g/mol
LogP3.13
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride

1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride (PubChem CID 155977994) has the molecular formula C11H11ClF2N2S and a molecular weight of 276.74 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride
PubChem CID155977994
Molecular FormulaC11H11ClF2N2S
Molecular Weight276.74 g/mol
Exact Mass276.03
IUPAC Name1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride
SMILESCl.Fc1ccc(CNCc2nccs2)cc1F
InChIInChI=1S/C11H10F2N2S.ClH/c12-9-2-1-8(5-10(9)13)6-14-7-11-15-3-4-16-11;/h1-5,14H,6-7H2;1H
InChIKeyBMEZEVXVCRINCD-UHFFFAOYSA-N
XLogP3.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60962189
1-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 114452746
1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine
CID 79824851
1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 79978937
N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60960358
1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60960350
1-(1,2-oxazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 106414886
1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001689
3-[(1,3-thiazol-2-ylmethylamino)methyl]benzonitrile
CID 60960478
1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 115282781
N-[[3-fluoro-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 63813747

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride (CID 155977994) is 1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride is Cl.Fc1ccc(CNCc2nccs2)cc1F.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is BMEZEVXVCRINCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S.ClH/c12-9-2-1-8(5-10(9)13)6-14-7-11-15-3-4-16-11;/h1-5,14H,6-7H2;1H.
What are the key properties of 1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride?
1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 276.74 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 155977994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).