N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride

C17H21ClFN5OS — CID 16847449

IUPACN-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N(CCN(C)C)c2nc3ccc(F)cc3s2)nn1C.Cl
InChIInChI=1S/C17H20FN5OS.ClH/c1-11-9-14(20-22(11)4)16(24)23(8-7-21(2)3)17-19-13-6-5-12(18)10-15(13)25-17;/h5-6,9-10H,7-8H2,1-4H3;1H
InChIKeyOZXTZWAXNGZVTL-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.11
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride

N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride (PubChem CID 16847449) has the molecular formula C17H21ClFN5OS and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
PubChem CID16847449
Molecular FormulaC17H21ClFN5OS
Molecular Weight397.91 g/mol
Exact Mass397.11
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N(CCN(C)C)c2nc3ccc(F)cc3s2)nn1C.Cl
InChIInChI=1S/C17H20FN5OS.ClH/c1-11-9-14(20-22(11)4)16(24)23(8-7-21(2)3)17-19-13-6-5-12(18)10-15(13)25-17;/h5-6,9-10H,7-8H2,1-4H3;1H
InChIKeyOZXTZWAXNGZVTL-UHFFFAOYSA-N
XLogP3.11
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
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N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide;hydrochloride
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N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride
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N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 44923186
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)-3,3-diphenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride (CID 16847449) is N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride is Cc1cc(C(=O)N(CCN(C)C)c2nc3ccc(F)cc3s2)nn1C.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is OZXTZWAXNGZVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5OS.ClH/c1-11-9-14(20-22(11)4)16(24)23(8-7-21(2)3)17-19-13-6-5-12(18)10-15(13)25-17;/h5-6,9-10H,7-8H2,1-4H3;1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 397.91 g/mol, XLogP of 3.11, 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)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 16847449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).