1-imidazo[1,2-a]pyridin-3-yl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea

C18H15N5OS — CID 155523508

IUPAC1-imidazo[1,2-a]pyridin-3-yl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea
SMILESCc1nc(-c2ccccc2)c(NC(=O)Nc2cnc3ccccn23)s1
InChIInChI=1S/C18H15N5OS/c1-12-20-16(13-7-3-2-4-8-13)17(25-12)22-18(24)21-15-11-19-14-9-5-6-10-23(14)15/h2-11H,1H3,(H2,21,22,24)
InChIKeyVCNVRPWROCPTKB-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.41
Rot. Bonds3

About 1-imidazo[1,2-a]pyridin-3-yl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea

1-imidazo[1,2-a]pyridin-3-yl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea (PubChem CID 155523508) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyridin-3-yl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyridin-3-yl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea
PubChem CID155523508
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name1-imidazo[1,2-a]pyridin-3-yl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea
SMILESCc1nc(-c2ccccc2)c(NC(=O)Nc2cnc3ccccn23)s1
InChIInChI=1S/C18H15N5OS/c1-12-20-16(13-7-3-2-4-8-13)17(25-12)22-18(24)21-15-11-19-14-9-5-6-10-23(14)15/h2-11H,1H3,(H2,21,22,24)
InChIKeyVCNVRPWROCPTKB-UHFFFAOYSA-N
XLogP4.41
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyridin-3-yl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea?
The IUPAC name of 1-imidazo[1,2-a]pyridin-3-yl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea (CID 155523508) is 1-imidazo[1,2-a]pyridin-3-yl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea.
What is the SMILES notation for 1-imidazo[1,2-a]pyridin-3-yl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea?
The canonical SMILES for 1-imidazo[1,2-a]pyridin-3-yl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea is Cc1nc(-c2ccccc2)c(NC(=O)Nc2cnc3ccccn23)s1.
What is the InChIKey of 1-imidazo[1,2-a]pyridin-3-yl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea?
The InChIKey is VCNVRPWROCPTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-12-20-16(13-7-3-2-4-8-13)17(25-12)22-18(24)21-15-11-19-14-9-5-6-10-23(14)15/h2-11H,1H3,(H2,21,22,24).
What are the key properties of 1-imidazo[1,2-a]pyridin-3-yl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea?
1-imidazo[1,2-a]pyridin-3-yl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea has a molecular weight of 349.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyridin-3-yl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea is sourced from PubChem (CID 155523508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).