1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea

C26H21N5O3S — CID 2816099

IUPAC1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea
SMILESCc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)NNC(=S)Nc4ccccc4)oc3n2)cc1
InChIInChI=1S/C26H21N5O3S/c1-15-9-11-16(12-10-15)19-14-18(20-8-5-13-33-20)21-22(27)23(34-25(21)29-19)24(32)30-31-26(35)28-17-6-3-2-4-7-17/h2-14H,27H2,1H3,(H,30,32)(H2,28,31,35)
InChIKeyJLEQVSSEPYQSMW-UHFFFAOYSA-N
MW483.55 g/mol
LogP5.28
Rot. Bonds4

About 1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea

1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea (PubChem CID 2816099) has the molecular formula C26H21N5O3S and a molecular weight of 483.55 g/mol. Its IUPAC name is 1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea
PubChem CID2816099
Molecular FormulaC26H21N5O3S
Molecular Weight483.55 g/mol
Exact Mass483.14
IUPAC Name1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea
SMILESCc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)NNC(=S)Nc4ccccc4)oc3n2)cc1
InChIInChI=1S/C26H21N5O3S/c1-15-9-11-16(12-10-15)19-14-18(20-8-5-13-33-20)21-22(27)23(34-25(21)29-19)24(32)30-31-26(35)28-17-6-3-2-4-7-17/h2-14H,27H2,1H3,(H,30,32)(H2,28,31,35)
InChIKeyJLEQVSSEPYQSMW-UHFFFAOYSA-N
XLogP5.28
TPSA118.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.55
LogP ≤ 55.28
H-Bond Donors ≤ 54
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-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]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

3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide
CID 2816119
3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carbohydrazide
CID 2816503
1-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 1354577
3-amino-6-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 5016303
(3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone
CID 11840724
1-[3-(dimethylsulfamoyl)phenyl]-3-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]thiourea
CID 42992799
2-[[(4-methylphenyl)carbamothioylamino]carbamoyl]benzoic acid
CID 730744
3-amino-4-(4-fluorophenyl)-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carbothioamide
CID 1261605
ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
CID 2816111
formonitrile;4-[2-(furan-2-yl)-6-(4-methylphenyl)-4-pyridinyl]benzamide
CID 144862660
3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide
CID 139267604
2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 168527201

Frequently Asked Questions

What is the IUPAC name of 1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea?
The IUPAC name of 1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea (CID 2816099) is 1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea.
What is the SMILES notation for 1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea?
The canonical SMILES for 1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea is Cc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)NNC(=S)Nc4ccccc4)oc3n2)cc1.
What is the InChIKey of 1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea?
The InChIKey is JLEQVSSEPYQSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3S/c1-15-9-11-16(12-10-15)19-14-18(20-8-5-13-33-20)21-22(27)23(34-25(21)29-19)24(32)30-31-26(35)28-17-6-3-2-4-7-17/h2-14H,27H2,1H3,(H,30,32)(H2,28,31,35).
What are the key properties of 1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea?
1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea has a molecular weight of 483.55 g/mol, XLogP of 5.28, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-amino-4-(furan-2-yl)-6-(4-methylphenyl)furo[2,3-b]pyridine-2-carbonyl]amino]-3-phenylthiourea is sourced from PubChem (CID 2816099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).