methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate

C9H16N4O2S — CID 103382318

IUPACmethyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1NCCN(C)C
InChIInChI=1S/C9H16N4O2S/c1-13(2)5-4-11-8-6(9(14)15-3)7(10)12-16-8/h11H,4-5H2,1-3H3,(H2,10,12)
InChIKeyPNJQAGSABZSULN-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.49
Rot. Bonds5

About methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate

methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate (PubChem CID 103382318) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate
PubChem CID103382318
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Namemethyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1NCCN(C)C
InChIInChI=1S/C9H16N4O2S/c1-13(2)5-4-11-8-6(9(14)15-3)7(10)12-16-8/h11H,4-5H2,1-3H3,(H2,10,12)
InChIKeyPNJQAGSABZSULN-UHFFFAOYSA-N
XLogP0.49
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate (CID 103382318) is methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate is COC(=O)c1c(N)nsc1NCCN(C)C.
What is the InChIKey of methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate?
The InChIKey is PNJQAGSABZSULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-13(2)5-4-11-8-6(9(14)15-3)7(10)12-16-8/h11H,4-5H2,1-3H3,(H2,10,12).
What are the key properties of methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate has a molecular weight of 244.32 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103382318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).