N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide

C14H10FN3OS — CID 57412037

IUPACN-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3ccncc3F)cc2s1
InChIInChI=1S/C14H10FN3OS/c1-8-17-12-3-2-9(6-13(12)20-8)14(19)18-11-4-5-16-7-10(11)15/h2-7H,1H3,(H,16,18,19)
InChIKeyHYEIEPGOIWGTNS-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.39
Rot. Bonds2

About N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide

N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 57412037) has the molecular formula C14H10FN3OS and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID57412037
Molecular FormulaC14H10FN3OS
Molecular Weight287.32 g/mol
Exact Mass287.05
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3ccncc3F)cc2s1
InChIInChI=1S/C14H10FN3OS/c1-8-17-12-3-2-9(6-13(12)20-8)14(19)18-11-4-5-16-7-10(11)15/h2-7H,1H3,(H,16,18,19)
InChIKeyHYEIEPGOIWGTNS-UHFFFAOYSA-N
XLogP3.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 103871197
N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 126196449
2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
CID 113342448
N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide
CID 103874413
N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68988013
N-[2-fluoro-3-(3-methoxypropoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68987630
2-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-benzothiazole-6-carboxamide
CID 126195886
3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 11301035
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 5210335
N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen
CID 155749287
2-methyl-N-(3-nitrophenyl)-1,3-benzothiazole-6-carboxamide
CID 976614
4-(bromomethyl)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594820

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide (CID 57412037) is N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide is Cc1nc2ccc(C(=O)Nc3ccncc3F)cc2s1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is HYEIEPGOIWGTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS/c1-8-17-12-3-2-9(6-13(12)20-8)14(19)18-11-4-5-16-7-10(11)15/h2-7H,1H3,(H,16,18,19).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 57412037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).