N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine

C14H16F3N3OS — CID 133488362

IUPACN,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
SMILESCN(C)C(CNc1ccc(OC(F)(F)F)cn1)c1cccs1
InChIInChI=1S/C14H16F3N3OS/c1-20(2)11(12-4-3-7-22-12)9-19-13-6-5-10(8-18-13)21-14(15,16)17/h3-8,11H,9H2,1-2H3,(H,18,19)
InChIKeyMOWMEHNAPJYUFV-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.76
Rot. Bonds6

About N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine

N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 133488362) has the molecular formula C14H16F3N3OS and a molecular weight of 331.36 g/mol. Its IUPAC name is N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
PubChem CID133488362
Molecular FormulaC14H16F3N3OS
Molecular Weight331.36 g/mol
Exact Mass331.10
IUPAC NameN,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
SMILESCN(C)C(CNc1ccc(OC(F)(F)F)cn1)c1cccs1
InChIInChI=1S/C14H16F3N3OS/c1-20(2)11(12-4-3-7-22-12)9-19-13-6-5-10(8-18-13)21-14(15,16)17/h3-8,11H,9H2,1-2H3,(H,18,19)
InChIKeyMOWMEHNAPJYUFV-UHFFFAOYSA-N
XLogP3.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine 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

N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489757
N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine
CID 133489708
N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133492021
N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 42958412
N-(cyclopropylmethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133489171
N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489068
ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 169238058
N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 134793831
(1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 95264644
N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489388
N-(1-methoxypropan-2-yl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133488159
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63893402

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine (CID 133488362) is N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine is CN(C)C(CNc1ccc(OC(F)(F)F)cn1)c1cccs1.
What is the InChIKey of N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is MOWMEHNAPJYUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3OS/c1-20(2)11(12-4-3-7-22-12)9-19-13-6-5-10(8-18-13)21-14(15,16)17/h3-8,11H,9H2,1-2H3,(H,18,19).
What are the key properties of N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine?
N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 331.36 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 133488362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).