1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea

C15H13N5O2S2 — CID 10760923

IUPAC1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea
SMILESO=C(CSc1nc2ncccc2o1)NNC(=S)Nc1ccccc1
InChIInChI=1S/C15H13N5O2S2/c21-12(19-20-14(23)17-10-5-2-1-3-6-10)9-24-15-18-13-11(22-15)7-4-8-16-13/h1-8H,9H2,(H,19,21)(H2,17,20,23)
InChIKeyHUIZTZYYHZRVPK-UHFFFAOYSA-N
MW359.44 g/mol
LogP2.33
Rot. Bonds4

About 1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea

1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea (PubChem CID 10760923) has the molecular formula C15H13N5O2S2 and a molecular weight of 359.44 g/mol. Its IUPAC name is 1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea
PubChem CID10760923
Molecular FormulaC15H13N5O2S2
Molecular Weight359.44 g/mol
Exact Mass359.05
IUPAC Name1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea
SMILESO=C(CSc1nc2ncccc2o1)NNC(=S)Nc1ccccc1
InChIInChI=1S/C15H13N5O2S2/c21-12(19-20-14(23)17-10-5-2-1-3-6-10)9-24-15-18-13-11(22-15)7-4-8-16-13/h1-8H,9H2,(H,19,21)(H2,17,20,23)
InChIKeyHUIZTZYYHZRVPK-UHFFFAOYSA-N
XLogP2.33
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea 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-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-(4-fluorophenyl)thiourea
CID 9469319
N-(4-tert-butylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 22587560
N-(3-chlorophenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948919
N-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20939901
N-(4-butan-2-ylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 22587552
N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948841
N-(2-ethyl-6-methylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948879
1-[[2-[2-[2-[2-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]sulfanylethoxy]ethoxy]ethylsulfanyl]acetyl]amino]-3-phenylthiourea
CID 139225718
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide
CID 12706412
2-[2-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 4096018
N-[(E)-(4-nitrophenyl)methylideneamino]-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 10594491
N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-2-phenoxyacetamide
CID 3480130

Frequently Asked Questions

What is the IUPAC name of 1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea?
The IUPAC name of 1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea (CID 10760923) is 1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea.
What is the SMILES notation for 1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea?
The canonical SMILES for 1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea is O=C(CSc1nc2ncccc2o1)NNC(=S)Nc1ccccc1.
What is the InChIKey of 1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea?
The InChIKey is HUIZTZYYHZRVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S2/c21-12(19-20-14(23)17-10-5-2-1-3-6-10)9-24-15-18-13-11(22-15)7-4-8-16-13/h1-8H,9H2,(H,19,21)(H2,17,20,23).
What are the key properties of 1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea?
1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea has a molecular weight of 359.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea is sourced from PubChem (CID 10760923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).