(1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C12H19F3N4S — CID 106783611

IUPAC(1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCN1CCCN(C)C(C(N)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H19F3N4S/c1-18-4-3-5-19(2)8(7-18)10(16)9-6-17-11(20-9)12(13,14)15/h6,8,10H,3-5,7,16H2,1-2H3
InChIKeyGBJQQSOINKXJFM-UHFFFAOYSA-N
MW308.37 g/mol
LogP1.80
Rot. Bonds2

About (1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

(1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783611) has the molecular formula C12H19F3N4S and a molecular weight of 308.37 g/mol. Its IUPAC name is (1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name(1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783611
Molecular FormulaC12H19F3N4S
Molecular Weight308.37 g/mol
Exact Mass308.13
IUPAC Name(1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCN1CCCN(C)C(C(N)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H19F3N4S/c1-18-4-3-5-19(2)8(7-18)10(16)9-6-17-11(20-9)12(13,14)15/h6,8,10H,3-5,7,16H2,1-2H3
InChIKeyGBJQQSOINKXJFM-UHFFFAOYSA-N
XLogP1.80
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine 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

(4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783141
2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783411
oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783317
thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783553
2-(azepan-1-yl)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783418
2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106783424
(2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine
CID 114283429
(3-bromo-2,6-difluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine
CID 106942947
(5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785774
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712
(1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783739
(4-methyl-3-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783767

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of (1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783611) is (1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for (1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for (1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CN1CCCN(C)C(C(N)c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of (1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is GBJQQSOINKXJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4S/c1-18-4-3-5-19(2)8(7-18)10(16)9-6-17-11(20-9)12(13,14)15/h6,8,10H,3-5,7,16H2,1-2H3.
What are the key properties of (1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
(1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 308.37 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).