N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide

C16H18FN5OS — CID 43961967

IUPACN-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
SMILESCN(C)CCN(C(=O)c1nccn1C)c1nc2ccc(F)cc2s1
InChIInChI=1S/C16H18FN5OS/c1-20(2)8-9-22(15(23)14-18-6-7-21(14)3)16-19-12-5-4-11(17)10-13(12)24-16/h4-7,10H,8-9H2,1-3H3
InChIKeySIHGNQJGLJPMLQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.38
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide

N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide (PubChem CID 43961967) has the molecular formula C16H18FN5OS and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
PubChem CID43961967
Molecular FormulaC16H18FN5OS
Molecular Weight347.42 g/mol
Exact Mass347.12
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
SMILESCN(C)CCN(C(=O)c1nccn1C)c1nc2ccc(F)cc2s1
InChIInChI=1S/C16H18FN5OS/c1-20(2)8-9-22(15(23)14-18-6-7-21(14)3)16-19-12-5-4-11(17)10-13(12)24-16/h4-7,10H,8-9H2,1-3H3
InChIKeySIHGNQJGLJPMLQ-UHFFFAOYSA-N
XLogP2.38
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-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-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 16847449
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7507525
N-[3-(dimethylamino)propyl]-3-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7208614
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide;hydrochloride
CID 16808282
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride
CID 44923148
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 43960854
N-[3-(dimethylamino)propyl]-3,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 43964432
4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16808644
3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 41347064
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 44923186
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 16808278
5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 43961160

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide (CID 43961967) is N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide is CN(C)CCN(C(=O)c1nccn1C)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide?
The InChIKey is SIHGNQJGLJPMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5OS/c1-20(2)8-9-22(15(23)14-18-6-7-21(14)3)16-19-12-5-4-11(17)10-13(12)24-16/h4-7,10H,8-9H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide?
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 43961967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).