methyl 2-[[6-(dimethylamino)imidazo[1,2-a]pyridine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate

C15H15N5O3S — CID 87573522

IUPACmethyl 2-[[6-(dimethylamino)imidazo[1,2-a]pyridine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2cn3cc(N(C)C)ccc3n2)s1
InChIInChI=1S/C15H15N5O3S/c1-19(2)9-4-5-12-17-10(8-20(12)7-9)13(21)18-15-16-6-11(24-15)14(22)23-3/h4-8H,1-3H3,(H,16,18,21)
InChIKeyAGOUAJGHWOJQGN-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.90
Rot. Bonds4

About methyl 2-[[6-(dimethylamino)imidazo[1,2-a]pyridine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[[6-(dimethylamino)imidazo[1,2-a]pyridine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 87573522) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is methyl 2-[[6-(dimethylamino)imidazo[1,2-a]pyridine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[6-(dimethylamino)imidazo[1,2-a]pyridine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID87573522
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Namemethyl 2-[[6-(dimethylamino)imidazo[1,2-a]pyridine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2cn3cc(N(C)C)ccc3n2)s1
InChIInChI=1S/C15H15N5O3S/c1-19(2)9-4-5-12-17-10(8-20(12)7-9)13(21)18-15-16-6-11(24-15)14(22)23-3/h4-8H,1-3H3,(H,16,18,21)
InChIKeyAGOUAJGHWOJQGN-UHFFFAOYSA-N
XLogP1.90
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(dimethylamino)imidazo[1,2-a]pyridine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[6-(dimethylamino)imidazo[1,2-a]pyridine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate (CID 87573522) is methyl 2-[[6-(dimethylamino)imidazo[1,2-a]pyridine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[6-(dimethylamino)imidazo[1,2-a]pyridine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[6-(dimethylamino)imidazo[1,2-a]pyridine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2cn3cc(N(C)C)ccc3n2)s1.
What is the InChIKey of methyl 2-[[6-(dimethylamino)imidazo[1,2-a]pyridine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is AGOUAJGHWOJQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-19(2)9-4-5-12-17-10(8-20(12)7-9)13(21)18-15-16-6-11(24-15)14(22)23-3/h4-8H,1-3H3,(H,16,18,21).
What are the key properties of methyl 2-[[6-(dimethylamino)imidazo[1,2-a]pyridine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[6-(dimethylamino)imidazo[1,2-a]pyridine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 345.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(dimethylamino)imidazo[1,2-a]pyridine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 87573522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).