4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide

C14H23F2N5OS — CID 75437693

IUPAC4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide
SMILESCN(C)c1nc(CNC(=O)N2CCCN(CC(F)F)CC2)cs1
InChIInChI=1S/C14H23F2N5OS/c1-19(2)14-18-11(10-23-14)8-17-13(22)21-5-3-4-20(6-7-21)9-12(15)16/h10,12H,3-9H2,1-2H3,(H,17,22)
InChIKeySLECQVSHVGFHEW-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.69
Rot. Bonds5

About 4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide

4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide (PubChem CID 75437693) has the molecular formula C14H23F2N5OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide
PubChem CID75437693
Molecular FormulaC14H23F2N5OS
Molecular Weight347.44 g/mol
Exact Mass347.16
IUPAC Name4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide
SMILESCN(C)c1nc(CNC(=O)N2CCCN(CC(F)F)CC2)cs1
InChIInChI=1S/C14H23F2N5OS/c1-19(2)14-18-11(10-23-14)8-17-13(22)21-5-3-4-20(6-7-21)9-12(15)16/h10,12H,3-9H2,1-2H3,(H,17,22)
InChIKeySLECQVSHVGFHEW-UHFFFAOYSA-N
XLogP1.69
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide 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-acetamido-1,3-thiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 57634132
N-ethyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43230304
4-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 45831948
1-(4-Methyl-1,3-thiazol-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 47206096
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 47247601
4-Methyl-2-[4-(2,2,3,3-tetrafluoropropyl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 53620003
N-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 55176104
N-ethyl-4-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 64438014
N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 64438015
4-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 64438016
4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 64438017
4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 64438018

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide (CID 75437693) is 4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide is CN(C)c1nc(CNC(=O)N2CCCN(CC(F)F)CC2)cs1.
What is the InChIKey of 4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide?
The InChIKey is SLECQVSHVGFHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N5OS/c1-19(2)14-18-11(10-23-14)8-17-13(22)21-5-3-4-20(6-7-21)9-12(15)16/h10,12H,3-9H2,1-2H3,(H,17,22).
What are the key properties of 4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide?
4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 75437693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).