4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one

C11H14N4O2S — CID 106382308

IUPAC4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCOc1ccnc(NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C11H14N4O2S/c1-2-5-17-9-3-4-12-10(15-9)13-6-8-7-18-11(16)14-8/h3-4,7H,2,5-6H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyLNLYZUXXCNNNSA-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.63
Rot. Bonds6

About 4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106382308) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106382308
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCOc1ccnc(NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C11H14N4O2S/c1-2-5-17-9-3-4-12-10(15-9)13-6-8-7-18-11(16)14-8/h3-4,7H,2,5-6H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyLNLYZUXXCNNNSA-UHFFFAOYSA-N
XLogP1.63
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 106013343
4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382213
N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide
CID 106338349
N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine
CID 106191641
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine
CID 112638883
4-[[(4-propoxypyrimidin-2-yl)amino]methyl]benzonitrile
CID 115974523
4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 114181858
4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384148
ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate
CID 106382203
3-methyl-1-N-(4-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 112638691
N-(2,2-dimethylheptyl)-4-propoxypyrimidin-2-amine
CID 115975266

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106382308) is 4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is CCCOc1ccnc(NCc2csc(=O)[nH]2)n1.
What is the InChIKey of 4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is LNLYZUXXCNNNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-2-5-17-9-3-4-12-10(15-9)13-6-8-7-18-11(16)14-8/h3-4,7H,2,5-6H2,1H3,(H,14,16)(H,12,13,15).
What are the key properties of 4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 266.33 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106382308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).