4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one

C11H12N6OS2 — CID 114181879

IUPAC4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCc1cc2c(NCc3csc(=O)[nH]3)nc(NN)nc2s1
InChIInChI=1S/C11H12N6OS2/c1-5-2-7-8(13-3-6-4-19-11(18)14-6)15-10(17-12)16-9(7)20-5/h2,4H,3,12H2,1H3,(H,14,18)(H2,13,15,16,17)
InChIKeyBEUAGZQXTORUGS-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.65
Rot. Bonds4

About 4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181879) has the molecular formula C11H12N6OS2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181879
Molecular FormulaC11H12N6OS2
Molecular Weight308.39 g/mol
Exact Mass308.05
IUPAC Name4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCc1cc2c(NCc3csc(=O)[nH]3)nc(NN)nc2s1
InChIInChI=1S/C11H12N6OS2/c1-5-2-7-8(13-3-6-4-19-11(18)14-6)15-10(17-12)16-9(7)20-5/h2,4H,3,12H2,1H3,(H,14,18)(H2,13,15,16,17)
InChIKeyBEUAGZQXTORUGS-UHFFFAOYSA-N
XLogP1.65
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384288
2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide
CID 103332316
2-hydrazinyl-6-methyl-N-(2,3,3-trimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335556
2-hydrazinyl-6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106043581
2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine
CID 103335234
1-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103332256
N-[2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 103332314
N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103333854
3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334447
N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332464
2-hydrazinyl-6-methyl-N-(2,4,4-trimethylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333150
4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 114181858

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 114181879) is 4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is Cc1cc2c(NCc3csc(=O)[nH]3)nc(NN)nc2s1.
What is the InChIKey of 4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is BEUAGZQXTORUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS2/c1-5-2-7-8(13-3-6-4-19-11(18)14-6)15-10(17-12)16-9(7)20-5/h2,4H,3,12H2,1H3,(H,14,18)(H2,13,15,16,17).
What are the key properties of 4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 308.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).