N-ethyl-3-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)imidazole-4-carboxamide

C20H17FN4OS — CID 8851401

IUPACN-ethyl-3-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)imidazole-4-carboxamide
SMILESCCN(C(=O)c1cncn1-c1ccc(F)cc1)c1nc2c(C)cccc2s1
InChIInChI=1S/C20H17FN4OS/c1-3-24(20-23-18-13(2)5-4-6-17(18)27-20)19(26)16-11-22-12-25(16)15-9-7-14(21)8-10-15/h4-12H,3H2,1-2H3
InChIKeyPZPUFMNNQZYMSY-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.60
Rot. Bonds4

About N-ethyl-3-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)imidazole-4-carboxamide

N-ethyl-3-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)imidazole-4-carboxamide (PubChem CID 8851401) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is N-ethyl-3-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)imidazole-4-carboxamide
PubChem CID8851401
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC NameN-ethyl-3-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)imidazole-4-carboxamide
SMILESCCN(C(=O)c1cncn1-c1ccc(F)cc1)c1nc2c(C)cccc2s1
InChIInChI=1S/C20H17FN4OS/c1-3-24(20-23-18-13(2)5-4-6-17(18)27-20)19(26)16-11-22-12-25(16)15-9-7-14(21)8-10-15/h4-12H,3H2,1-2H3
InChIKeyPZPUFMNNQZYMSY-UHFFFAOYSA-N
XLogP4.60
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenyltriazole-4-carboxamide
CID 8850091
2-bromo-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4799193
diethyl-[2-[(4-fluorobenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium
CID 7511464
2-[(4-fluorobenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
CID 7507771
3-[(4-fluorobenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium
CID 7208741
N-[2-(diethylamino)ethyl]-2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7511493
2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 4782988
N-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 18576539
N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2464324
diethyl-[2-[(3-fluorobenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium
CID 7511466
2-(2-chlorophenoxy)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4802566
2-(4-fluorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44908610

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)imidazole-4-carboxamide?
The IUPAC name of N-ethyl-3-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)imidazole-4-carboxamide (CID 8851401) is N-ethyl-3-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-3-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)imidazole-4-carboxamide?
The canonical SMILES for N-ethyl-3-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)imidazole-4-carboxamide is CCN(C(=O)c1cncn1-c1ccc(F)cc1)c1nc2c(C)cccc2s1.
What is the InChIKey of N-ethyl-3-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)imidazole-4-carboxamide?
The InChIKey is PZPUFMNNQZYMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-3-24(20-23-18-13(2)5-4-6-17(18)27-20)19(26)16-11-22-12-25(16)15-9-7-14(21)8-10-15/h4-12H,3H2,1-2H3.
What are the key properties of N-ethyl-3-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)imidazole-4-carboxamide?
N-ethyl-3-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)imidazole-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 8851401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).