N-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide

C21H17FN4O2S — CID 90125757

IUPACN-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide
SMILESCC[C@@H](O)c1cnc(-c2ccc(C(=O)Nc3nc4ccccc4s3)nc2)c(F)c1
InChIInChI=1S/C21H17FN4O2S/c1-2-17(27)13-9-14(22)19(24-11-13)12-7-8-16(23-10-12)20(28)26-21-25-15-5-3-4-6-18(15)29-21/h3-11,17,27H,2H2,1H3,(H,25,26,28)/t17-/m1/s1
InChIKeyHLNYWLQNNSVGRJ-QGZVFWFLSA-N
MW408.46 g/mol
LogP4.59
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide

N-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 90125757) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide
PubChem CID90125757
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide
SMILESCC[C@@H](O)c1cnc(-c2ccc(C(=O)Nc3nc4ccccc4s3)nc2)c(F)c1
InChIInChI=1S/C21H17FN4O2S/c1-2-17(27)13-9-14(22)19(24-11-13)12-7-8-16(23-10-12)20(28)26-21-25-15-5-3-4-6-18(15)29-21/h3-11,17,27H,2H2,1H3,(H,25,26,28)/t17-/m1/s1
InChIKeyHLNYWLQNNSVGRJ-QGZVFWFLSA-N
XLogP4.59
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide
CID 90126749
N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver
CID 87950103
N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104639786
N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide
CID 113264920
4-[5-[(2R)-2,3-dihydroxypropyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 71609695
6-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5-fluoro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 90126781
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide
CID 63187259
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 16952689
N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 4233786
3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772153

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide (CID 90125757) is N-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide is CC[C@@H](O)c1cnc(-c2ccc(C(=O)Nc3nc4ccccc4s3)nc2)c(F)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is HLNYWLQNNSVGRJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-2-17(27)13-9-14(22)19(24-11-13)12-7-8-16(23-10-12)20(28)26-21-25-15-5-3-4-6-18(15)29-21/h3-11,17,27H,2H2,1H3,(H,25,26,28)/t17-/m1/s1.
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 90125757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).