3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid

C15H11FN4O2S2 — CID 143711752

IUPAC3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid
SMILESCc1ccc(Nc2ncc(Sc3ccnc(C(=O)O)c3F)s2)nc1
InChIInChI=1S/C15H11FN4O2S2/c1-8-2-3-10(18-6-8)20-15-19-7-11(24-15)23-9-4-5-17-13(12(9)16)14(21)22/h2-7H,1H3,(H,21,22)(H,18,19,20)
InChIKeyTZSUSKHTNFAULO-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.97
Rot. Bonds5

About 3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid

3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid (PubChem CID 143711752) has the molecular formula C15H11FN4O2S2 and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid
PubChem CID143711752
Molecular FormulaC15H11FN4O2S2
Molecular Weight362.41 g/mol
Exact Mass362.03
IUPAC Name3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid
SMILESCc1ccc(Nc2ncc(Sc3ccnc(C(=O)O)c3F)s2)nc1
InChIInChI=1S/C15H11FN4O2S2/c1-8-2-3-10(18-6-8)20-15-19-7-11(24-15)23-9-4-5-17-13(12(9)16)14(21)22/h2-7H,1H3,(H,21,22)(H,18,19,20)
InChIKeyTZSUSKHTNFAULO-UHFFFAOYSA-N
XLogP3.97
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-Fluoro-3-{[2-(pyridin-2-ylamino)-thiazol-5-ylmethyl]-amino}-benzoic acid
CID 22019056
6-[[5-[[5-(Cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid
CID 22019175
3-fluoro-N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
CID 24957357
3-fluoro-N-(2-hydroxy-2-phenylpentyl)-4-[[2-[[5-(methoxymethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
CID 24957358
3-fluoro-N-[2-hydroxy-2,2-bis(3-methylphenyl)ethyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
CID 24957360
3-fluoro-N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
CID 24958113
4-[[2-[[5-[[[2-(dimethylamino)acetyl]amino]methyl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]sulfanyl]-3-fluoro-N-(2-hydroxy-2-phenylpentyl)pyridine-2-carboxamide
CID 24958115
3-fluoro-N-(2-hydroxy-2-phenylpentyl)-4-(2-(pyridin-2-ylamino)thiazol-5-ylthio)picolinamide
CID 24958492
3-fluoro-N-[2-hydroxy-2-(6-methyl-2-pyridinyl)pentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
CID 24962861
3-fluoro-N-(2-hydroxy-2-phenylpentyl)-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
CID 59200339
3-fluoro-N-[(2S)-2-hydroxy-2-phenylpentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
CID 59200359
3-Fluoro-4-(2-(5-(methoxymethyl)pyridin-2-ylamino)thiazol-5-ylthio)picolinic acid
CID 59200365

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid (CID 143711752) is 3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid is Cc1ccc(Nc2ncc(Sc3ccnc(C(=O)O)c3F)s2)nc1.
What is the InChIKey of 3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid?
The InChIKey is TZSUSKHTNFAULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2S2/c1-8-2-3-10(18-6-8)20-15-19-7-11(24-15)23-9-4-5-17-13(12(9)16)14(21)22/h2-7H,1H3,(H,21,22)(H,18,19,20).
What are the key properties of 3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid?
3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid has a molecular weight of 362.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 143711752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).