methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate

C10H11N3O2S2 — CID 80571139

IUPACmethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N(C)Cc2cscn2)s1
InChIInChI=1S/C10H11N3O2S2/c1-13(4-7-5-16-6-12-7)10-11-3-8(17-10)9(14)15-2/h3,5-6H,4H2,1-2H3
InChIKeyNBTPRGCNVJGBKI-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.02
Rot. Bonds4

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

methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 80571139) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID80571139
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Namemethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N(C)Cc2cscn2)s1
InChIInChI=1S/C10H11N3O2S2/c1-13(4-7-5-16-6-12-7)10-11-3-8(17-10)9(14)15-2/h3,5-6H,4H2,1-2H3
InChIKeyNBTPRGCNVJGBKI-UHFFFAOYSA-N
XLogP2.02
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate (CID 80571139) is methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N(C)Cc2cscn2)s1.
What is the InChIKey of methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is NBTPRGCNVJGBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-13(4-7-5-16-6-12-7)10-11-3-8(17-10)9(14)15-2/h3,5-6H,4H2,1-2H3.
What are the key properties of methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 269.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80571139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).