ethyl 5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylate

C19H19N5O3S — CID 44553354

IUPACethyl 5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylate
SMILESC=CCNC(=O)Nc1nc2cc(-c3cncc(C(=O)OCC)c3)c(C)nc2s1
InChIInChI=1S/C19H19N5O3S/c1-4-6-21-18(26)24-19-23-15-8-14(11(3)22-16(15)28-19)12-7-13(10-20-9-12)17(25)27-5-2/h4,7-10H,1,5-6H2,2-3H3,(H2,21,23,24,26)
InChIKeyGZMLWTJVCKWLMY-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.55
Rot. Bonds6

About ethyl 5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylate

ethyl 5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylate (PubChem CID 44553354) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is ethyl 5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylate
PubChem CID44553354
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Nameethyl 5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylate
SMILESC=CCNC(=O)Nc1nc2cc(-c3cncc(C(=O)OCC)c3)c(C)nc2s1
InChIInChI=1S/C19H19N5O3S/c1-4-6-21-18(26)24-19-23-15-8-14(11(3)22-16(15)28-19)12-7-13(10-20-9-12)17(25)27-5-2/h4,7-10H,1,5-6H2,2-3H3,(H2,21,23,24,26)
InChIKeyGZMLWTJVCKWLMY-UHFFFAOYSA-N
XLogP3.55
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylic acid
CID 44553358
1-[6-(2-methoxypyrimidin-5-yl)-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-enylurea
CID 44553353
N-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide
CID 59352848
ethyl 4-(prop-2-enylcarbamoylamino)benzoate
CID 47146341
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide
CID 44553526
1-[6-(2-methoxyethoxy)-5-pyridin-3-yl-1,3-benzothiazol-2-yl]-3-prop-2-enylurea
CID 86575925
ethyl 5-[4-chloro-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylate
CID 67057296
1-ethyl-3-[5-(2-methoxyethoxy)-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352805
ethyl 5-[2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl]pyridine-3-carboxylate
CID 21366074
1-ethyl-3-[6-pyrimidin-5-yl-5-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352835
ethyl 5-[5-[acetyl(methyl)amino]-4-methyl-1,3-thiazol-2-yl]pyridine-3-carboxylate
CID 126635332
ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate
CID 67338384

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylate (CID 44553354) is ethyl 5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylate is C=CCNC(=O)Nc1nc2cc(-c3cncc(C(=O)OCC)c3)c(C)nc2s1.
What is the InChIKey of ethyl 5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylate?
The InChIKey is GZMLWTJVCKWLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-4-6-21-18(26)24-19-23-15-8-14(11(3)22-16(15)28-19)12-7-13(10-20-9-12)17(25)27-5-2/h4,7-10H,1,5-6H2,2-3H3,(H2,21,23,24,26).
What are the key properties of ethyl 5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylate?
ethyl 5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylate has a molecular weight of 397.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[5-methyl-2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxylate is sourced from PubChem (CID 44553354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).