[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone

C16H14N4O2S — CID 54583342

IUPAC[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2sc(Nc3cccnc3)nc2N)c1
InChIInChI=1S/C16H14N4O2S/c1-22-12-6-2-4-10(8-12)13(21)14-15(17)20-16(23-14)19-11-5-3-7-18-9-11/h2-9H,17H2,1H3,(H,19,20)
InChIKeyIVPOEQUCSQIXKZ-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.10
Rot. Bonds5

About [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone

[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone (PubChem CID 54583342) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
PubChem CID54583342
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2sc(Nc3cccnc3)nc2N)c1
InChIInChI=1S/C16H14N4O2S/c1-22-12-6-2-4-10(8-12)13(21)14-15(17)20-16(23-14)19-11-5-3-7-18-9-11/h2-9H,17H2,1H3,(H,19,20)
InChIKeyIVPOEQUCSQIXKZ-UHFFFAOYSA-N
XLogP3.10
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone (CID 54583342) is [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2sc(Nc3cccnc3)nc2N)c1.
What is the InChIKey of [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone?
The InChIKey is IVPOEQUCSQIXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-22-12-6-2-4-10(8-12)13(21)14-15(17)20-16(23-14)19-11-5-3-7-18-9-11/h2-9H,17H2,1H3,(H,19,20).
What are the key properties of [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone?
[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone has a molecular weight of 326.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 54583342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).