2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide

C12H14F2N4OS — CID 167920030

IUPAC2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide
SMILESCN(CCCn1ccnc1)C(=O)C(F)(F)c1cncs1
InChIInChI=1S/C12H14F2N4OS/c1-17(4-2-5-18-6-3-15-8-18)11(19)12(13,14)10-7-16-9-20-10/h3,6-9H,2,4-5H2,1H3
InChIKeyGQDLLYBFKCRMFM-UHFFFAOYSA-N
MW300.33 g/mol
LogP1.98
Rot. Bonds6

About 2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide

2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide (PubChem CID 167920030) has the molecular formula C12H14F2N4OS and a molecular weight of 300.33 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide
PubChem CID167920030
Molecular FormulaC12H14F2N4OS
Molecular Weight300.33 g/mol
Exact Mass300.09
IUPAC Name2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide
SMILESCN(CCCn1ccnc1)C(=O)C(F)(F)c1cncs1
InChIInChI=1S/C12H14F2N4OS/c1-17(4-2-5-18-6-3-15-8-18)11(19)12(13,14)10-7-16-9-20-10/h3,6-9H,2,4-5H2,1H3
InChIKeyGQDLLYBFKCRMFM-UHFFFAOYSA-N
XLogP1.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide 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

3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 71915368
trans-(1S,2S)-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 97071504
2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid
CID 126755730
2-[3-imidazol-1-ylpropyl(methyl)amino]-N,N-dimethylpropanamide
CID 84592025
3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid
CID 82323769
2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine
CID 75435415
1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone
CID 133376158
1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol
CID 62334128
N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine
CID 107207249
2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid
CID 43135799
N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 29152157

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide (CID 167920030) is 2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide is CN(CCCn1ccnc1)C(=O)C(F)(F)c1cncs1.
What is the InChIKey of 2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide?
The InChIKey is GQDLLYBFKCRMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4OS/c1-17(4-2-5-18-6-3-15-8-18)11(19)12(13,14)10-7-16-9-20-10/h3,6-9H,2,4-5H2,1H3.
What are the key properties of 2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide?
2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide has a molecular weight of 300.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 167920030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).