1-(dimethylamino)-1,3-diphenylthiourea

C15H17N3S — CID 174700414

IUPAC1-(dimethylamino)-1,3-diphenylthiourea
SMILESCN(C)N(C(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17N3S/c1-17(2)18(14-11-7-4-8-12-14)15(19)16-13-9-5-3-6-10-13/h3-12H,1-2H3,(H,16,19)
InChIKeyUOMBSXMKKATWKL-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.37
Rot. Bonds3

About 1-(dimethylamino)-1,3-diphenylthiourea

1-(dimethylamino)-1,3-diphenylthiourea (PubChem CID 174700414) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(dimethylamino)-1,3-diphenylthiourea.

Molecular Properties

Compound Name1-(dimethylamino)-1,3-diphenylthiourea
PubChem CID174700414
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name1-(dimethylamino)-1,3-diphenylthiourea
SMILESCN(C)N(C(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17N3S/c1-17(2)18(14-11-7-4-8-12-14)15(19)16-13-9-5-3-6-10-13/h3-12H,1-2H3,(H,16,19)
InChIKeyUOMBSXMKKATWKL-UHFFFAOYSA-N
XLogP3.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1,3-dimethyl-1-[N-(phenylcarbamothioyl)anilino]thiourea
CID 88817673
1-anilino-1,3-diphenylthiourea
CID 71327325
1-ethyl-1-(3-methylphenyl)-3-phenylthiourea
CID 115577646
1,1-dibutyl-3-phenylthiourea
CID 3101699
N-phenyl-N-(phenylcarbamothioyl)formamide
CID 110272511
1-(4-methoxyphenyl)-1-methyl-3-phenylthiourea
CID 116508176
1-(2-hydroxyethyl)-1,3-diphenylthiourea
CID 838392
1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea
CID 5140739
1,1-bis(4-hydroxyphenyl)-3-phenylthiourea
CID 4673242
1-methyl-3-phenyl-1-(1H-1,2,4-triazol-5-ylmethyl)thiourea
CID 116508876
1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea
CID 115587724
1-(aminosulfanylmethyl)-1,3-diphenylthiourea
CID 90755015

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1,3-diphenylthiourea?
The IUPAC name of 1-(dimethylamino)-1,3-diphenylthiourea (CID 174700414) is 1-(dimethylamino)-1,3-diphenylthiourea.
What is the SMILES notation for 1-(dimethylamino)-1,3-diphenylthiourea?
The canonical SMILES for 1-(dimethylamino)-1,3-diphenylthiourea is CN(C)N(C(=S)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(dimethylamino)-1,3-diphenylthiourea?
The InChIKey is UOMBSXMKKATWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-17(2)18(14-11-7-4-8-12-14)15(19)16-13-9-5-3-6-10-13/h3-12H,1-2H3,(H,16,19).
What are the key properties of 1-(dimethylamino)-1,3-diphenylthiourea?
1-(dimethylamino)-1,3-diphenylthiourea has a molecular weight of 271.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1,3-diphenylthiourea is sourced from PubChem (CID 174700414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).