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

C20H20ClN7O3S — CID 134208955

IUPAC1-[5-chloro-2-methoxy-4-(triazol-1-yl)phenyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
SMILESCOc1cc(-n2ccnn2)c(Cl)cc1NC(=O)Nc1cnc2sc(C)nc2c1C(C)OC
InChIInChI=1S/C20H20ClN7O3S/c1-10(30-3)17-14(9-22-19-18(17)24-11(2)32-19)26-20(29)25-13-7-12(21)15(8-16(13)31-4)28-6-5-23-27-28/h5-10H,1-4H3,(H2,25,26,29)
InChIKeyZOXWYLCREOMFKQ-UHFFFAOYSA-N
MW473.95 g/mol
LogP4.59
Rot. Bonds6

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

1-[5-chloro-2-methoxy-4-(triazol-1-yl)phenyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea (PubChem CID 134208955) has the molecular formula C20H20ClN7O3S and a molecular weight of 473.95 g/mol. Its IUPAC name is 1-[5-chloro-2-methoxy-4-(triazol-1-yl)phenyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[5-chloro-2-methoxy-4-(triazol-1-yl)phenyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
PubChem CID134208955
Molecular FormulaC20H20ClN7O3S
Molecular Weight473.95 g/mol
Exact Mass473.10
IUPAC Name1-[5-chloro-2-methoxy-4-(triazol-1-yl)phenyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
SMILESCOc1cc(-n2ccnn2)c(Cl)cc1NC(=O)Nc1cnc2sc(C)nc2c1C(C)OC
InChIInChI=1S/C20H20ClN7O3S/c1-10(30-3)17-14(9-22-19-18(17)24-11(2)32-19)26-20(29)25-13-7-12(21)15(8-16(13)31-4)28-6-5-23-27-28/h5-10H,1-4H3,(H2,25,26,29)
InChIKeyZOXWYLCREOMFKQ-UHFFFAOYSA-N
XLogP4.59
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.95
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[5-chloro-2-methoxy-4-(triazol-1-yl)phenyl]-3-[7-(1-methoxyethyl)-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

Related Compounds

1-(3-chloro-4-imidazol-1-ylphenyl)-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134208946
1-[5-chloro-6-(1,2-oxazol-4-yl)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134211660
1-[3-chloro-4-(triazol-2-yl)phenyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea
CID 134209029
1-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)-3-pyridinyl]urea
CID 134209028
7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine
CID 169218606
1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea
CID 166769801
1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-(4-fluoro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134209663
1-[3-chloro-4-(triazol-2-yl)phenyl]-3-[7-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134217611
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[5-methoxy-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea
CID 155202059
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea
CID 156772560
1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea
CID 163499188
N-[3-(difluoromethyl)-4-(triazol-2-yl)phenyl]formamide;7-(1-methoxyethyl)-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridin-6-amine
CID 145450734

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-methoxy-4-(triazol-1-yl)phenyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea?
The IUPAC name of 1-[5-chloro-2-methoxy-4-(triazol-1-yl)phenyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea (CID 134208955) is 1-[5-chloro-2-methoxy-4-(triazol-1-yl)phenyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea.
What is the SMILES notation for 1-[5-chloro-2-methoxy-4-(triazol-1-yl)phenyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea?
The canonical SMILES for 1-[5-chloro-2-methoxy-4-(triazol-1-yl)phenyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea is COc1cc(-n2ccnn2)c(Cl)cc1NC(=O)Nc1cnc2sc(C)nc2c1C(C)OC.
What is the InChIKey of 1-[5-chloro-2-methoxy-4-(triazol-1-yl)phenyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea?
The InChIKey is ZOXWYLCREOMFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7O3S/c1-10(30-3)17-14(9-22-19-18(17)24-11(2)32-19)26-20(29)25-13-7-12(21)15(8-16(13)31-4)28-6-5-23-27-28/h5-10H,1-4H3,(H2,25,26,29).
What are the key properties of 1-[5-chloro-2-methoxy-4-(triazol-1-yl)phenyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea?
1-[5-chloro-2-methoxy-4-(triazol-1-yl)phenyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea has a molecular weight of 473.95 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-methoxy-4-(triazol-1-yl)phenyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea is sourced from PubChem (CID 134208955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).