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

C13H11N5OS — CID 160741302

IUPAC1-(2-methyl-4-pyridinyl)-3-([1,3]thiazolo[5,4-b]pyridin-6-yl)urea
SMILESCc1cc(NC(=O)Nc2cnc3scnc3c2)ccn1
InChIInChI=1S/C13H11N5OS/c1-8-4-9(2-3-14-8)17-13(19)18-10-5-11-12(15-6-10)20-7-16-11/h2-7H,1H3,(H2,14,17,18,19)
InChIKeyLROSBBPXUMAVBP-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.04
Rot. Bonds2

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

1-(2-methyl-4-pyridinyl)-3-([1,3]thiazolo[5,4-b]pyridin-6-yl)urea (PubChem CID 160741302) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridinyl)-3-([1,3]thiazolo[5,4-b]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-(2-methyl-4-pyridinyl)-3-([1,3]thiazolo[5,4-b]pyridin-6-yl)urea
PubChem CID160741302
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name1-(2-methyl-4-pyridinyl)-3-([1,3]thiazolo[5,4-b]pyridin-6-yl)urea
SMILESCc1cc(NC(=O)Nc2cnc3scnc3c2)ccn1
InChIInChI=1S/C13H11N5OS/c1-8-4-9(2-3-14-8)17-13(19)18-10-5-11-12(15-6-10)20-7-16-11/h2-7H,1H3,(H2,14,17,18,19)
InChIKeyLROSBBPXUMAVBP-UHFFFAOYSA-N
XLogP3.04
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
CID 110755160
1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea
CID 86818366
1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea
CID 84521860
methyl N-(2-methyl-4-pyridinyl)carbamate
CID 110756833
N-(2-methyl-4-pyridinyl)butanamide
CID 78910950
2-acetamido-N-(2-methyl-4-pyridinyl)acetamide
CID 110687090
2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 110465342
3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid
CID 122088409
2-methyl-N-(2-methyl-4-pyridinyl)prop-2-enamide
CID 174936648
(2R)-2-hydroxy-N-(2-methyl-4-pyridinyl)propanamide
CID 131207206
2-(4-methylphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756851
4-hydroxy-N-(2-methyl-4-pyridinyl)butanamide
CID 79240902

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridinyl)-3-([1,3]thiazolo[5,4-b]pyridin-6-yl)urea?
The IUPAC name of 1-(2-methyl-4-pyridinyl)-3-([1,3]thiazolo[5,4-b]pyridin-6-yl)urea (CID 160741302) is 1-(2-methyl-4-pyridinyl)-3-([1,3]thiazolo[5,4-b]pyridin-6-yl)urea.
What is the SMILES notation for 1-(2-methyl-4-pyridinyl)-3-([1,3]thiazolo[5,4-b]pyridin-6-yl)urea?
The canonical SMILES for 1-(2-methyl-4-pyridinyl)-3-([1,3]thiazolo[5,4-b]pyridin-6-yl)urea is Cc1cc(NC(=O)Nc2cnc3scnc3c2)ccn1.
What is the InChIKey of 1-(2-methyl-4-pyridinyl)-3-([1,3]thiazolo[5,4-b]pyridin-6-yl)urea?
The InChIKey is LROSBBPXUMAVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c1-8-4-9(2-3-14-8)17-13(19)18-10-5-11-12(15-6-10)20-7-16-11/h2-7H,1H3,(H2,14,17,18,19).
What are the key properties of 1-(2-methyl-4-pyridinyl)-3-([1,3]thiazolo[5,4-b]pyridin-6-yl)urea?
1-(2-methyl-4-pyridinyl)-3-([1,3]thiazolo[5,4-b]pyridin-6-yl)urea has a molecular weight of 285.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridinyl)-3-([1,3]thiazolo[5,4-b]pyridin-6-yl)urea is sourced from PubChem (CID 160741302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).