3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide

C16H14N4O2S — CID 86665636

IUPAC3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
SMILESCOc1cc(C(N)=O)ccc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C16H14N4O2S/c1-22-14-7-10(15(17)21)4-5-12(14)19-16-20-13(9-23-16)11-3-2-6-18-8-11/h2-9H,1H3,(H2,17,21)(H,19,20)
InChIKeyNMFQUSKFRYUZDX-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.06
Rot. Bonds5

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

3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide (PubChem CID 86665636) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide.

Molecular Properties

Compound Name3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
PubChem CID86665636
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
SMILESCOc1cc(C(N)=O)ccc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C16H14N4O2S/c1-22-14-7-10(15(17)21)4-5-12(14)19-16-20-13(9-23-16)11-3-2-6-18-8-11/h2-9H,1H3,(H2,17,21)(H,19,20)
InChIKeyNMFQUSKFRYUZDX-UHFFFAOYSA-N
XLogP3.06
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 160695214
N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791567
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;hydrobromide
CID 87942240
2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4800365
3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 73168622
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 110446009
3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
CID 142684609
N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 127037256
3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-(trideuterio(113C)methyl)benzene-1,3-diamine
CID 91971706

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?
The IUPAC name of 3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide (CID 86665636) is 3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide.
What is the SMILES notation for 3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?
The canonical SMILES for 3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide is COc1cc(C(N)=O)ccc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?
The InChIKey is NMFQUSKFRYUZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-22-14-7-10(15(17)21)4-5-12(14)19-16-20-13(9-23-16)11-3-2-6-18-8-11/h2-9H,1H3,(H2,17,21)(H,19,20).
What are the key properties of 3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?
3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide has a molecular weight of 326.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 86665636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).