6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid

C16H14N4O2S — CID 90134418

IUPAC6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1
InChIInChI=1S/C16H14N4O2S/c21-16(22)11-7-17-15(6-13(11)19-9-1-2-9)20-10-3-4-12-14(5-10)23-8-18-12/h3-9H,1-2H2,(H,21,22)(H2,17,19,20)
InChIKeyNTBNJIGMMGJZLR-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.71
Rot. Bonds5

About 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid

6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid (PubChem CID 90134418) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid
PubChem CID90134418
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1
InChIInChI=1S/C16H14N4O2S/c21-16(22)11-7-17-15(6-13(11)19-9-1-2-9)20-10-3-4-12-14(5-10)23-8-18-12/h3-9H,1-2H2,(H,21,22)(H2,17,19,20)
InChIKeyNTBNJIGMMGJZLR-UHFFFAOYSA-N
XLogP3.71
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,3-benzothiazol-6-ylamino)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 90155320
6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)-N-[(2R)-2,4,4,4-tetrafluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 90155078
6-(1,3-benzothiazol-6-ylamino)-4-[(2-fluorocyclopentyl)amino]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 90155464
6-(1,3-benzothiazol-6-ylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(3-hydroxycyclopentyl)amino]pyridine-3-carboxamide
CID 123548518
6-(1,3-benzothiazol-6-ylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide
CID 90155005
6-(1,3-benzothiazol-6-ylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carboxamide
CID 90155089
[5-[6-(1,3-benzothiazol-6-ylamino)-4-(oxan-4-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71656671
6-(1,3-benzothiazol-6-ylamino)-N-[4-(2,3-dihydropyridine-5-carbonylamino)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 123812090
6-(1,3-benzothiazol-6-ylamino)-N-[(2R)-3-cyclopropyl-2,4,4,4-tetrafluoro-3-hydroxybutyl]-4-[[3-(2-hydroxypropan-2-yl)cyclobutyl]amino]pyridine-3-carboxamide
CID 90155395
4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol
CID 107803944
6-(1,3-benzothiazol-6-ylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide
CID 90155180
6-(1,3-benzothiazol-6-ylamino)-N-[(1S,3S)-3-[(1-cyanocyclopropyl)carbamoyl]cyclopentyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;ethane
CID 144624924

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid (CID 90134418) is 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid is O=C(O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1.
What is the InChIKey of 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid?
The InChIKey is NTBNJIGMMGJZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c21-16(22)11-7-17-15(6-13(11)19-9-1-2-9)20-10-3-4-12-14(5-10)23-8-18-12/h3-9H,1-2H2,(H,21,22)(H2,17,19,20).
What are the key properties of 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid?
6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid has a molecular weight of 326.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 90134418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).