1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea

C15H21N5S — CID 18953574

IUPAC1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea
SMILESCCC(C)C(C)NC(=S)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C15H21N5S/c1-4-11(2)12(3)18-15(21)19-13-5-6-14(17-9-13)20-8-7-16-10-20/h5-12H,4H2,1-3H3,(H2,18,19,21)
InChIKeyLCEUAOKYNGFCDH-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.99
Rot. Bonds5

About 1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea

1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea (PubChem CID 18953574) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea.

Molecular Properties

Compound Name1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea
PubChem CID18953574
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea
SMILESCCC(C)C(C)NC(=S)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C15H21N5S/c1-4-11(2)12(3)18-15(21)19-13-5-6-14(17-9-13)20-8-7-16-10-20/h5-12H,4H2,1-3H3,(H2,18,19,21)
InChIKeyLCEUAOKYNGFCDH-UHFFFAOYSA-N
XLogP2.99
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 62855029
ethyl 2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 90564814
N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698
N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719
6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767
N-heptan-3-yl-6-imidazol-1-ylpyridin-3-amine
CID 63945117
2-amino-N-(6-imidazol-1-yl-3-pyridinyl)-3-methoxypropanamide
CID 81082774
N-tert-butyl-6-imidazol-1-ylpyridin-3-amine
CID 167253831
2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol
CID 81413209
2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 75424281
2-(aminomethyl)-N-(6-imidazol-1-yl-3-pyridinyl)pentanamide
CID 65225245
(2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide
CID 95292032

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea?
The IUPAC name of 1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea (CID 18953574) is 1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea.
What is the SMILES notation for 1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea?
The canonical SMILES for 1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea is CCC(C)C(C)NC(=S)Nc1ccc(-n2ccnc2)nc1.
What is the InChIKey of 1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea?
The InChIKey is LCEUAOKYNGFCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-4-11(2)12(3)18-15(21)19-13-5-6-14(17-9-13)20-8-7-16-10-20/h5-12H,4H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea?
1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea has a molecular weight of 303.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea is sourced from PubChem (CID 18953574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).