N,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid

C17H22F3N5O3S — CID 155849666

IUPACN,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)c1nc2c(s1)CCN(Cc1nccn1C)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H21N5OS.C2HF3O2/c1-18(2)15(21)14-17-11-4-7-20(8-5-12(11)22-14)10-13-16-6-9-19(13)3;3-2(4,5)1(6)7/h6,9H,4-5,7-8,10H2,1-3H3;(H,6,7)
InChIKeyNSACRWPXASOSKM-UHFFFAOYSA-N
MW433.46 g/mol
LogP1.81
Rot. Bonds3

About N,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155849666) has the molecular formula C17H22F3N5O3S and a molecular weight of 433.46 g/mol. Its IUPAC name is N,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155849666
Molecular FormulaC17H22F3N5O3S
Molecular Weight433.46 g/mol
Exact Mass433.14
IUPAC NameN,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)c1nc2c(s1)CCN(Cc1nccn1C)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H21N5OS.C2HF3O2/c1-18(2)15(21)14-17-11-4-7-20(8-5-12(11)22-14)10-13-16-6-9-19(13)3;3-2(4,5)1(6)7/h6,9H,4-5,7-8,10H2,1-3H3;(H,6,7)
InChIKeyNSACRWPXASOSKM-UHFFFAOYSA-N
XLogP1.81
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid 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-methoxy-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine;2,2,2-trifluoroacetic acid
CID 155855520
[6-[(1-methylpyrazol-4-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155853075
N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461839
N,N-diethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 171705428
6-[2-(4-methoxyphenyl)acetyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97361501
N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97410610
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
8-[(1-methylimidazol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155827999
4-(cyclopropylmethyl)-7-[(1-methylimidazol-2-yl)methyl]-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepine;bis(2,2,2-trifluoroacetic acid)
CID 155855425
6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442519
[5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl]methanol;2,2,2-trifluoroacetic acid
CID 155843867
N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97461963

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155849666) is N,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)c1nc2c(s1)CCN(Cc1nccn1C)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NSACRWPXASOSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS.C2HF3O2/c1-18(2)15(21)14-17-11-4-7-20(8-5-12(11)22-14)10-13-16-6-9-19(13)3;3-2(4,5)1(6)7/h6,9H,4-5,7-8,10H2,1-3H3;(H,6,7).
What are the key properties of N,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 433.46 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155849666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).