methyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate

C15H15N5O3S2 — CID 3214217

IUPACmethyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)CSc2nc3cccnc3n2C)nc1C
InChIInChI=1S/C15H15N5O3S2/c1-8-11(13(22)23-3)25-14(17-8)19-10(21)7-24-15-18-9-5-4-6-16-12(9)20(15)2/h4-6H,7H2,1-3H3,(H,17,19,21)
InChIKeyJYDQZURCZXQSSZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.25
Rot. Bonds5

About methyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 3214217) has the molecular formula C15H15N5O3S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID3214217
Molecular FormulaC15H15N5O3S2
Molecular Weight377.45 g/mol
Exact Mass377.06
IUPAC Namemethyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)CSc2nc3cccnc3n2C)nc1C
InChIInChI=1S/C15H15N5O3S2/c1-8-11(13(22)23-3)25-14(17-8)19-10(21)7-24-15-18-9-5-4-6-16-12(9)20(15)2/h4-6H,7H2,1-3H3,(H,17,19,21)
InChIKeyJYDQZURCZXQSSZ-UHFFFAOYSA-N
XLogP2.25
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 2467100
2-(3-Cyclohexyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4,5-dimethyl-thiazol-2-yl)-acetamide
CID 650398
2-[2-(3-Cyclohexyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetylamino]-4-methyl-thiazole-5-carboxylic acid methyl ester
CID 650946
{2-[2-(3-Ethyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 653429
4-Methyl-2-[2-(3-methyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetylamino]-thiazole-5-carboxylic acid ethyl ester
CID 3214218
5-Acetyl-4-methyl-2-[2-(3-methyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetylamino]-thiophene-3-carboxylic acid ethyl ester
CID 646857
2-[2-(5-Benzotriazol-1-ylmethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-4-methyl-thiazole-5-carboxylic acid methyl ester
CID 3184407
N-(4,5-Dimethyl-thiazol-2-yl)-2-(3-ethyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetamide
CID 3214226
2-(2-Methylbenzimidazol-1-yl)ethyl 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
CID 53508631
Ethyl 2-[[2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3184400
ethyl 4-methyl-2-{2-[(1-methyl-5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate
CID 16801721
methyl 3-({[3-(3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl)-1-pyrrolidinyl]carbonyl}amino)-2-thiophenecarboxylate
CID 53191255

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate (CID 3214217) is methyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)CSc2nc3cccnc3n2C)nc1C.
What is the InChIKey of methyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is JYDQZURCZXQSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S2/c1-8-11(13(22)23-3)25-14(17-8)19-10(21)7-24-15-18-9-5-4-6-16-12(9)20(15)2/h4-6H,7H2,1-3H3,(H,17,19,21).
What are the key properties of methyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 377.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 3214217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).