1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea

C13H11Cl2N3S — CID 19686283

IUPAC1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea
SMILESCc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H11Cl2N3S/c1-8-2-3-9(14)6-11(8)17-13(19)18-12-5-4-10(15)7-16-12/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyWLTIIYJYYDBSKN-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.51
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea

1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea (PubChem CID 19686283) has the molecular formula C13H11Cl2N3S and a molecular weight of 312.23 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea
PubChem CID19686283
Molecular FormulaC13H11Cl2N3S
Molecular Weight312.23 g/mol
Exact Mass311.01
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea
SMILESCc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H11Cl2N3S/c1-8-2-3-9(14)6-11(8)17-13(19)18-12-5-4-10(15)7-16-12/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyWLTIIYJYYDBSKN-UHFFFAOYSA-N
XLogP4.51
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methylphenyl)-3-(4-methyl-2-pyridinyl)thiourea
CID 19686024
1-(5-chloro-2-methylphenyl)-3-methylthiourea
CID 2252731
1-(5-chloro-2-pyridinyl)-3-naphthalen-1-ylthiourea
CID 19686288
N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
CID 6457327
1-(5-chloro-2-methylphenyl)-3-propylthiourea
CID 6992117
1-(5-chloro-2-methylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiourea
CID 17374794
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamothioylamino]-4-methylphenyl]thiourea
CID 6481333
1-(5-chloro-2-pyridinyl)-3-(2-methoxyethyl)thiourea
CID 19686299
N-(5-chloro-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 55042675
1-(4-chloro-2-methylphenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 46924150
1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 17283684
1-(5-chloro-2-methylphenyl)-3-naphthalen-2-ylthiourea
CID 17284178

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea (CID 19686283) is 1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea is Cc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea?
The InChIKey is WLTIIYJYYDBSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3S/c1-8-2-3-9(14)6-11(8)17-13(19)18-12-5-4-10(15)7-16-12/h2-7H,1H3,(H2,16,17,18,19).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea?
1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea has a molecular weight of 312.23 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea is sourced from PubChem (CID 19686283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).