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

C19H17ClN6O3S — CID 134211660

IUPAC1-[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
SMILESCOC(C)c1c(NC(=O)Nc2cnc(-c3cnoc3)c(Cl)c2)cnc2sc(C)nc12
InChIInChI=1S/C19H17ClN6O3S/c1-9(28-3)15-14(7-22-18-17(15)24-10(2)30-18)26-19(27)25-12-4-13(20)16(21-6-12)11-5-23-29-8-11/h4-9H,1-3H3,(H2,25,26,27)
InChIKeyBEPCBLIERMIUAY-UHFFFAOYSA-N
MW444.90 g/mol
LogP5.05
Rot. Bonds5

About 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

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 (PubChem CID 134211660) has the molecular formula C19H17ClN6O3S and a molecular weight of 444.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID134211660
Molecular FormulaC19H17ClN6O3S
Molecular Weight444.90 g/mol
Exact Mass444.08
IUPAC Name1-[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
SMILESCOC(C)c1c(NC(=O)Nc2cnc(-c3cnoc3)c(Cl)c2)cnc2sc(C)nc12
InChIInChI=1S/C19H17ClN6O3S/c1-9(28-3)15-14(7-22-18-17(15)24-10(2)30-18)26-19(27)25-12-4-13(20)16(21-6-12)11-5-23-29-8-11/h4-9H,1-3H3,(H2,25,26,27)
InChIKeyBEPCBLIERMIUAY-UHFFFAOYSA-N
XLogP5.05
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.90
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 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-[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
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
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-[3-chloro-4-(triazol-2-yl)phenyl]-3-[7-[methoxy(phenyl)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134209546
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea
CID 156772560
7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine
CID 169218606
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-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134217614
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea
CID 156772717
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-(triazol-2-yl)-3-pyridinyl]-3-[7-(4,4-difluoropiperidin-1-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134217590

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(C)c1c(NC(=O)Nc2cnc(-c3cnoc3)c(Cl)c2)cnc2sc(C)nc12.
What is the InChIKey of 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?
The InChIKey is BEPCBLIERMIUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O3S/c1-9(28-3)15-14(7-22-18-17(15)24-10(2)30-18)26-19(27)25-12-4-13(20)16(21-6-12)11-5-23-29-8-11/h4-9H,1-3H3,(H2,25,26,27).
What are the key properties of 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?
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 has a molecular weight of 444.90 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134211660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).