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

C12H14N4OS — CID 71662400

IUPAC[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone
SMILESCC(C)Nc1nc(N)c(C(=O)c2cccnc2)s1
InChIInChI=1S/C12H14N4OS/c1-7(2)15-12-16-11(13)10(18-12)9(17)8-4-3-5-14-6-8/h3-7H,13H2,1-2H3,(H,15,16)
InChIKeyPDIHMNDWUQWWNQ-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.17
Rot. Bonds4

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

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone (PubChem CID 71662400) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone
PubChem CID71662400
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone
SMILESCC(C)Nc1nc(N)c(C(=O)c2cccnc2)s1
InChIInChI=1S/C12H14N4OS/c1-7(2)15-12-16-11(13)10(18-12)9(17)8-4-3-5-14-6-8/h3-7H,13H2,1-2H3,(H,15,16)
InChIKeyPDIHMNDWUQWWNQ-UHFFFAOYSA-N
XLogP2.17
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone 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-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone (CID 71662400) is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone is CC(C)Nc1nc(N)c(C(=O)c2cccnc2)s1.
What is the InChIKey of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone?
The InChIKey is PDIHMNDWUQWWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7(2)15-12-16-11(13)10(18-12)9(17)8-4-3-5-14-6-8/h3-7H,13H2,1-2H3,(H,15,16).
What are the key properties of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone?
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone has a molecular weight of 262.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 71662400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).