4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one

C12H16N4O2S — CID 106379398

IUPAC4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)Oc1nc(NCc2csc(=O)[nH]2)ccc1N
InChIInChI=1S/C12H16N4O2S/c1-7(2)18-11-9(13)3-4-10(16-11)14-5-8-6-19-12(17)15-8/h3-4,6-7H,5,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyMNBRFBDRDFDWGG-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.81
Rot. Bonds5

About 4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379398) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379398
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)Oc1nc(NCc2csc(=O)[nH]2)ccc1N
InChIInChI=1S/C12H16N4O2S/c1-7(2)18-11-9(13)3-4-10(16-11)14-5-8-6-19-12(17)15-8/h3-4,6-7H,5,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyMNBRFBDRDFDWGG-UHFFFAOYSA-N
XLogP1.81
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384271
4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381976
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]acetic acid
CID 62253683
6-propan-2-yloxy-2-N-(pyridin-2-ylmethyl)pyridine-2,5-diamine
CID 43261168
4-[(2-amino-5-methoxyanilino)methyl]-3H-1,3-thiazol-2-one
CID 106379499
2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 113449896
2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63004628
4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384246
2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine
CID 114107323
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261264
2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 64630804
3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile
CID 106382248

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379398) is 4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one is CC(C)Oc1nc(NCc2csc(=O)[nH]2)ccc1N.
What is the InChIKey of 4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is MNBRFBDRDFDWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-7(2)18-11-9(13)3-4-10(16-11)14-5-8-6-19-12(17)15-8/h3-4,6-7H,5,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 280.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).