1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea

C19H19ClN8O2S — CID 134209159

IUPAC1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
SMILESCCOC(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2sc(C)nc12
InChIInChI=1S/C19H19ClN8O2S/c1-4-30-10(2)15-14(9-22-18-16(15)25-11(3)31-18)27-19(29)26-12-7-13(20)17(21-8-12)28-23-5-6-24-28/h5-10H,4H2,1-3H3,(H2,26,27,29)
InChIKeyXMGYABGGMNRNSB-UHFFFAOYSA-N
MW458.94 g/mol
LogP4.37
Rot. Bonds6

About 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea

1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea (PubChem CID 134209159) has the molecular formula C19H19ClN8O2S and a molecular weight of 458.94 g/mol. Its IUPAC name is 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
PubChem CID134209159
Molecular FormulaC19H19ClN8O2S
Molecular Weight458.94 g/mol
Exact Mass458.10
IUPAC Name1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
SMILESCCOC(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2sc(C)nc12
InChIInChI=1S/C19H19ClN8O2S/c1-4-30-10(2)15-14(9-22-18-16(15)25-11(3)31-18)27-19(29)26-12-7-13(20)17(21-8-12)28-23-5-6-24-28/h5-10H,4H2,1-3H3,(H2,26,27,29)
InChIKeyXMGYABGGMNRNSB-UHFFFAOYSA-N
XLogP4.37
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.94
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea?
The IUPAC name of 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea (CID 134209159) is 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea.
What is the SMILES notation for 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea?
The canonical SMILES for 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea is CCOC(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2sc(C)nc12.
What is the InChIKey of 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea?
The InChIKey is XMGYABGGMNRNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN8O2S/c1-4-30-10(2)15-14(9-22-18-16(15)25-11(3)31-18)27-19(29)26-12-7-13(20)17(21-8-12)28-23-5-6-24-28/h5-10H,4H2,1-3H3,(H2,26,27,29).
What are the key properties of 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea?
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea has a molecular weight of 458.94 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(1-ethoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea is sourced from PubChem (CID 134209159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).