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

C17H16N6OS — CID 1485012

IUPAC1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea
SMILESCc1cccc(-n2cnc(C(=O)NNC(=S)Nc3ccccc3)c2)n1
InChIInChI=1S/C17H16N6OS/c1-12-6-5-9-15(19-12)23-10-14(18-11-23)16(24)21-22-17(25)20-13-7-3-2-4-8-13/h2-11H,1H3,(H,21,24)(H2,20,22,25)
InChIKeyHZIHMEUDXCSJHM-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.21
Rot. Bonds3

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

1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea (PubChem CID 1485012) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea
PubChem CID1485012
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC Name1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea
SMILESCc1cccc(-n2cnc(C(=O)NNC(=S)Nc3ccccc3)c2)n1
InChIInChI=1S/C17H16N6OS/c1-12-6-5-9-15(19-12)23-10-14(18-11-23)16(24)21-22-17(25)20-13-7-3-2-4-8-13/h2-11H,1H3,(H,21,24)(H2,20,22,25)
InChIKeyHZIHMEUDXCSJHM-UHFFFAOYSA-N
XLogP2.21
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.21
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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Related Compounds

N'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide
CID 1485013
1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 1491423
N-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 143907242
1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylthiourea
CID 842923
1-(6-methyl-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 1491434
N-[4-[(phenylcarbamothioylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 166005650
5-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71061074
1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea
CID 57396205
1-[4-methyl-5-[(phenylcarbamothioylamino)carbamoyl]-1,3-thiazol-2-yl]-3-phenylthiourea
CID 24938319
N-[4-[(phenylcarbamothioylamino)carbamoyl]phenyl]acetamide
CID 910312
1-(3,5-dimethylphenyl)-3-(phenylcarbamothioylamino)thiourea
CID 8001043
N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171968

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea?
The IUPAC name of 1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea (CID 1485012) is 1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea.
What is the SMILES notation for 1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea?
The canonical SMILES for 1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea is Cc1cccc(-n2cnc(C(=O)NNC(=S)Nc3ccccc3)c2)n1.
What is the InChIKey of 1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea?
The InChIKey is HZIHMEUDXCSJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-12-6-5-9-15(19-12)23-10-14(18-11-23)16(24)21-22-17(25)20-13-7-3-2-4-8-13/h2-11H,1H3,(H,21,24)(H2,20,22,25).
What are the key properties of 1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea?
1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea has a molecular weight of 352.42 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea is sourced from PubChem (CID 1485012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).