4-[[4-amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide

C16H15N5O2S — CID 66553065

IUPAC4-[[4-amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(N)c(C(O)c3cccnc3)s2)cc1
InChIInChI=1S/C16H15N5O2S/c17-14-13(12(22)10-2-1-7-19-8-10)24-16(21-14)20-11-5-3-9(4-6-11)15(18)23/h1-8,12,22H,17H2,(H2,18,23)(H,20,21)
InChIKeyCQZIBAMOXJDGFZ-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.04
Rot. Bonds5

About 4-[[4-amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide

4-[[4-amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 66553065) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 4-[[4-amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide
PubChem CID66553065
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name4-[[4-amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(N)c(C(O)c3cccnc3)s2)cc1
InChIInChI=1S/C16H15N5O2S/c17-14-13(12(22)10-2-1-7-19-8-10)24-16(21-14)20-11-5-3-9(4-6-11)15(18)23/h1-8,12,22H,17H2,(H2,18,23)(H,20,21)
InChIKeyCQZIBAMOXJDGFZ-UHFFFAOYSA-N
XLogP2.04
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid
CID 704565
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzamide
CID 71662399
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzoic Acid
CID 73347326
(4-Amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol
CID 66553049
(R)-2-(2-aminothiazol-4-yl)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)acetamide
CID 46881617
2-(2-aminothiazol-4-yl)-N-(4-(2-((R)-2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)propanamide
CID 46881871
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(2-(methylamino)thiazol-4-yl)acetamide
CID 46881872
2-(2-Benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
CID 127031758
4-[[4-[(Z)-[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-pyridinyl]amino]benzoic acid
CID 134135028
Benzoic acid, 4-[[4-(2-pyridinyl)-2-thiazolyl]amino]-
CID 704429
4-[[4-Amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 66553064
N-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
CID 90665650

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide?
The IUPAC name of 4-[[4-amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide (CID 66553065) is 4-[[4-amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide?
The canonical SMILES for 4-[[4-amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide is NC(=O)c1ccc(Nc2nc(N)c(C(O)c3cccnc3)s2)cc1.
What is the InChIKey of 4-[[4-amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide?
The InChIKey is CQZIBAMOXJDGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c17-14-13(12(22)10-2-1-7-19-8-10)24-16(21-14)20-11-5-3-9(4-6-11)15(18)23/h1-8,12,22H,17H2,(H2,18,23)(H,20,21).
What are the key properties of 4-[[4-amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide?
4-[[4-amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 341.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 66553065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).