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

C16H12F2N4O2S — CID 11428424

IUPAC[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-[4-(difluoromethoxy)phenyl]methanone
SMILESNc1nc(Nc2cccnc2)sc1C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H12F2N4O2S/c17-15(18)24-11-5-3-9(4-6-11)12(23)13-14(19)22-16(25-13)21-10-2-1-7-20-8-10/h1-8,15H,19H2,(H,21,22)
InChIKeyAGWPDKMHSXCMCE-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.70
Rot. Bonds6

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

[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-[4-(difluoromethoxy)phenyl]methanone (PubChem CID 11428424) has the molecular formula C16H12F2N4O2S and a molecular weight of 362.36 g/mol. Its IUPAC name is [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-[4-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-[4-(difluoromethoxy)phenyl]methanone
PubChem CID11428424
Molecular FormulaC16H12F2N4O2S
Molecular Weight362.36 g/mol
Exact Mass362.06
IUPAC Name[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-[4-(difluoromethoxy)phenyl]methanone
SMILESNc1nc(Nc2cccnc2)sc1C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H12F2N4O2S/c17-15(18)24-11-5-3-9(4-6-11)12(23)13-14(19)22-16(25-13)21-10-2-1-7-20-8-10/h1-8,15H,19H2,(H,21,22)
InChIKeyAGWPDKMHSXCMCE-UHFFFAOYSA-N
XLogP3.70
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-[4-(difluoromethoxy)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-[4-(difluoromethoxy)phenyl]methanone?
The IUPAC name of [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-[4-(difluoromethoxy)phenyl]methanone (CID 11428424) is [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-[4-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-[4-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-[4-(difluoromethoxy)phenyl]methanone is Nc1nc(Nc2cccnc2)sc1C(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-[4-(difluoromethoxy)phenyl]methanone?
The InChIKey is AGWPDKMHSXCMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2S/c17-15(18)24-11-5-3-9(4-6-11)12(23)13-14(19)22-16(25-13)21-10-2-1-7-20-8-10/h1-8,15H,19H2,(H,21,22).
What are the key properties of [4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-[4-(difluoromethoxy)phenyl]methanone?
[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-[4-(difluoromethoxy)phenyl]methanone has a molecular weight of 362.36 g/mol, XLogP of 3.70, 6 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]-[4-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 11428424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).