1-(4-chlorophenyl)-3-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]thiourea

C17H15ClN6OS — CID 3693866

IUPAC1-(4-chlorophenyl)-3-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]thiourea
SMILESCc1cccc(-n2cnc(C(=O)NNC(=S)Nc3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C17H15ClN6OS/c1-11-3-2-4-15(20-11)24-9-14(19-10-24)16(25)22-23-17(26)21-13-7-5-12(18)6-8-13/h2-10H,1H3,(H,22,25)(H2,21,23,26)
InChIKeyLZYDGSHJACEGJF-UHFFFAOYSA-N
MW386.87 g/mol
LogP2.86
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]thiourea

1-(4-chlorophenyl)-3-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]thiourea (PubChem CID 3693866) has the molecular formula C17H15ClN6OS and a molecular weight of 386.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]thiourea
PubChem CID3693866
Molecular FormulaC17H15ClN6OS
Molecular Weight386.87 g/mol
Exact Mass386.07
IUPAC Name1-(4-chlorophenyl)-3-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]thiourea
SMILESCc1cccc(-n2cnc(C(=O)NNC(=S)Nc3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C17H15ClN6OS/c1-11-3-2-4-15(20-11)24-9-14(19-10-24)16(25)22-23-17(26)21-13-7-5-12(18)6-8-13/h2-10H,1H3,(H,22,25)(H2,21,23,26)
InChIKeyLZYDGSHJACEGJF-UHFFFAOYSA-N
XLogP2.86
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.87
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]thiourea (CID 3693866) is 1-(4-chlorophenyl)-3-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]thiourea is Cc1cccc(-n2cnc(C(=O)NNC(=S)Nc3ccc(Cl)cc3)c2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]thiourea?
The InChIKey is LZYDGSHJACEGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6OS/c1-11-3-2-4-15(20-11)24-9-14(19-10-24)16(25)22-23-17(26)21-13-7-5-12(18)6-8-13/h2-10H,1H3,(H,22,25)(H2,21,23,26).
What are the key properties of 1-(4-chlorophenyl)-3-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]thiourea?
1-(4-chlorophenyl)-3-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]thiourea has a molecular weight of 386.87 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]thiourea is sourced from PubChem (CID 3693866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).