N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide

C18H19FN4O2S — CID 16952642

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CC2CCCO2)c2nc3ccc(F)cc3s2)nn1C
InChIInChI=1S/C18H19FN4O2S/c1-11-8-15(21-22(11)2)17(24)23(10-13-4-3-7-25-13)18-20-14-6-5-12(19)9-16(14)26-18/h5-6,8-9,13H,3-4,7,10H2,1-2H3
InChIKeyHOYUQDWGMVGGAX-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.30
Rot. Bonds4

About N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 16952642) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID16952642
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CC2CCCO2)c2nc3ccc(F)cc3s2)nn1C
InChIInChI=1S/C18H19FN4O2S/c1-11-8-15(21-22(11)2)17(24)23(10-13-4-3-7-25-13)18-20-14-6-5-12(19)9-16(14)26-18/h5-6,8-9,13H,3-4,7,10H2,1-2H3
InChIKeyHOYUQDWGMVGGAX-UHFFFAOYSA-N
XLogP3.30
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16879701
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989787
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 16847449
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8718562
3-(2-chlorophenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 30702482
4-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8703077
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 40967699
N-(4-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 40966618
N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 40966634
1-(4-chlorophenyl)sulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 16925229
N-(1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 2576373
N-(1,3-benzothiazol-2-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 42589892

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (CID 16952642) is N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is Cc1cc(C(=O)N(CC2CCCO2)c2nc3ccc(F)cc3s2)nn1C.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is HOYUQDWGMVGGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-11-8-15(21-22(11)2)17(24)23(10-13-4-3-7-25-13)18-20-14-6-5-12(19)9-16(14)26-18/h5-6,8-9,13H,3-4,7,10H2,1-2H3.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 16952642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).