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

C18H18N6O2S — CID 59352848

IUPACN-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide
SMILESC=CCNC(=O)Nc1nc2cc(-c3cncc(C(=O)NCC)c3)cnc2s1
InChIInChI=1S/C18H18N6O2S/c1-3-5-21-17(26)24-18-23-14-7-12(10-22-16(14)27-18)11-6-13(9-19-8-11)15(25)20-4-2/h3,6-10H,1,4-5H2,2H3,(H,20,25)(H2,21,23,24,26)
InChIKeySEWTYBGKHSKANR-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.81
Rot. Bonds6

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

N-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide (PubChem CID 59352848) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide
PubChem CID59352848
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC NameN-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide
SMILESC=CCNC(=O)Nc1nc2cc(-c3cncc(C(=O)NCC)c3)cnc2s1
InChIInChI=1S/C18H18N6O2S/c1-3-5-21-17(26)24-18-23-14-7-12(10-22-16(14)27-18)11-6-13(9-19-8-11)15(25)20-4-2/h3,6-10H,1,4-5H2,2H3,(H,20,25)(H2,21,23,24,26)
InChIKeySEWTYBGKHSKANR-UHFFFAOYSA-N
XLogP2.81
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide (CID 59352848) is N-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide is C=CCNC(=O)Nc1nc2cc(-c3cncc(C(=O)NCC)c3)cnc2s1.
What is the InChIKey of N-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide?
The InChIKey is SEWTYBGKHSKANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-3-5-21-17(26)24-18-23-14-7-12(10-22-16(14)27-18)11-6-13(9-19-8-11)15(25)20-4-2/h3,6-10H,1,4-5H2,2H3,(H,20,25)(H2,21,23,24,26).
What are the key properties of N-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide?
N-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59352848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).