5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine

C12H13ClFN3S — CID 120897457

IUPAC5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1cnc(N)s1)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFN3S/c1-17(6-8-5-16-12(15)18-8)7-9-10(13)3-2-4-11(9)14/h2-5H,6-7H2,1H3,(H2,15,16)
InChIKeyJZTXIGIPCWLQJF-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.15
Rot. Bonds4

About 5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine

5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 120897457) has the molecular formula C12H13ClFN3S and a molecular weight of 285.77 g/mol. Its IUPAC name is 5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID120897457
Molecular FormulaC12H13ClFN3S
Molecular Weight285.77 g/mol
Exact Mass285.05
IUPAC Name5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1cnc(N)s1)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFN3S/c1-17(6-8-5-16-12(15)18-8)7-9-10(13)3-2-4-11(9)14/h2-5H,6-7H2,1H3,(H2,15,16)
InChIKeyJZTXIGIPCWLQJF-UHFFFAOYSA-N
XLogP3.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897486
5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 122156846
5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120898349
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902294
5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 83051831
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771928
5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 86063814
5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79772146
5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 87352618
3-chloro-2-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzoic acid
CID 136550259
1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
CID 62333927
3-chloro-2-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 63747627

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine (CID 120897457) is 5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine is CN(Cc1cnc(N)s1)Cc1c(F)cccc1Cl.
What is the InChIKey of 5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is JZTXIGIPCWLQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3S/c1-17(6-8-5-16-12(15)18-8)7-9-10(13)3-2-4-11(9)14/h2-5H,6-7H2,1H3,(H2,15,16).
What are the key properties of 5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine?
5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 285.77 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120897457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).