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

C14H11N5OS — CID 54587240

IUPAC[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone
SMILESNc1nc(Nc2cccnc2)sc1C(=O)c1cccnc1
InChIInChI=1S/C14H11N5OS/c15-13-12(11(20)9-3-1-5-16-7-9)21-14(19-13)18-10-4-2-6-17-8-10/h1-8H,15H2,(H,18,19)
InChIKeyHWUAECSPBXTMLX-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.49
Rot. Bonds4

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

[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone (PubChem CID 54587240) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone
PubChem CID54587240
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC Name[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone
SMILESNc1nc(Nc2cccnc2)sc1C(=O)c1cccnc1
InChIInChI=1S/C14H11N5OS/c15-13-12(11(20)9-3-1-5-16-7-9)21-14(19-13)18-10-4-2-6-17-8-10/h1-8H,15H2,(H,18,19)
InChIKeyHWUAECSPBXTMLX-UHFFFAOYSA-N
XLogP2.49
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.49
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]-pyridin-3-ylmethanone?
The IUPAC name of [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone (CID 54587240) is [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone is Nc1nc(Nc2cccnc2)sc1C(=O)c1cccnc1.
What is the InChIKey of [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone?
The InChIKey is HWUAECSPBXTMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c15-13-12(11(20)9-3-1-5-16-7-9)21-14(19-13)18-10-4-2-6-17-8-10/h1-8H,15H2,(H,18,19).
What are the key properties of [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone?
[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone has a molecular weight of 297.34 g/mol, XLogP of 2.49, 4 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]-pyridin-3-ylmethanone is sourced from PubChem (CID 54587240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).