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

C16H16FN3OS2 — CID 7507525

IUPACN-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCN(C)CCN(C(=O)c1cccs1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C16H16FN3OS2/c1-19(2)7-8-20(15(21)13-4-3-9-22-13)16-18-12-6-5-11(17)10-14(12)23-16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyJNUZMURKBMOXSG-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.71
Rot. Bonds5

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

N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 7507525) has the molecular formula C16H16FN3OS2 and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID7507525
Molecular FormulaC16H16FN3OS2
Molecular Weight349.46 g/mol
Exact Mass349.07
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCN(C)CCN(C(=O)c1cccs1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C16H16FN3OS2/c1-19(2)7-8-20(15(21)13-4-3-9-22-13)16-18-12-6-5-11(17)10-14(12)23-16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyJNUZMURKBMOXSG-UHFFFAOYSA-N
XLogP3.71
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 7622720
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide
CID 7622719
(E)-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 7208043
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 7510589
N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7525208
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-(4-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 44946339
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-[2-(diethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 44947342
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43961967

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 7507525) is N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is CN(C)CCN(C(=O)c1cccs1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is JNUZMURKBMOXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3OS2/c1-19(2)7-8-20(15(21)13-4-3-9-22-13)16-18-12-6-5-11(17)10-14(12)23-16/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 7507525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).