1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea

C14H14N4O3S — CID 19686414

IUPAC1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea
SMILESCOc1ccc(C)cc1NC(=S)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H14N4O3S/c1-9-3-5-12(21-2)11(7-9)16-14(22)17-13-6-4-10(8-15-13)18(19)20/h3-8H,1-2H3,(H2,15,16,17,22)
InChIKeyTYINEARNSZBNQJ-UHFFFAOYSA-N
MW318.36 g/mol
LogP3.12
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea

1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea (PubChem CID 19686414) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea
PubChem CID19686414
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea
SMILESCOc1ccc(C)cc1NC(=S)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H14N4O3S/c1-9-3-5-12(21-2)11(7-9)16-14(22)17-13-6-4-10(8-15-13)18(19)20/h3-8H,1-2H3,(H2,15,16,17,22)
InChIKeyTYINEARNSZBNQJ-UHFFFAOYSA-N
XLogP3.12
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea 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-(3,4-dimethoxyphenyl)-3-(5-nitro-2-pyridinyl)thiourea
CID 19686409
1-(2-methoxy-5-nitrophenyl)-3-pyridin-3-ylthiourea
CID 23733552
N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 27818248
N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine
CID 3750418
1-(2-methoxy-5-methylphenyl)-3-[(3-nitrophenyl)methylideneamino]thiourea
CID 5218623
N-(2-amino-5-methylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108532452
1-(5-methyl-2-pyridinyl)-3-(3-nitrophenyl)thiourea
CID 19686076
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
(2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
CID 52512652
1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea
CID 17264293
1-(2-methoxy-5-nitrophenyl)-3-(1-methylbenzimidazol-4-yl)thiourea
CID 86665418
1-(4-bromo-2-chlorophenyl)-3-(2-methoxy-5-nitrophenyl)thiourea
CID 2204576

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea (CID 19686414) is 1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea is COc1ccc(C)cc1NC(=S)Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea?
The InChIKey is TYINEARNSZBNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-9-3-5-12(21-2)11(7-9)16-14(22)17-13-6-4-10(8-15-13)18(19)20/h3-8H,1-2H3,(H2,15,16,17,22).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea?
1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea has a molecular weight of 318.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea is sourced from PubChem (CID 19686414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).