1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea

C19H25N3S — CID 5140739

IUPAC1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea
SMILESCCN(CC)CCN(C(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N3S/c1-3-21(4-2)15-16-22(18-13-9-6-10-14-18)19(23)20-17-11-7-5-8-12-17/h5-14H,3-4,15-16H2,1-2H3,(H,20,23)
InChIKeyBRQTXXMLBTVZMR-UHFFFAOYSA-N
MW327.50 g/mol
LogP4.23
Rot. Bonds7

About 1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea

1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea (PubChem CID 5140739) has the molecular formula C19H25N3S and a molecular weight of 327.50 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea
PubChem CID5140739
Molecular FormulaC19H25N3S
Molecular Weight327.50 g/mol
Exact Mass327.18
IUPAC Name1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea
SMILESCCN(CC)CCN(C(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N3S/c1-3-21(4-2)15-16-22(18-13-9-6-10-14-18)19(23)20-17-11-7-5-8-12-17/h5-14H,3-4,15-16H2,1-2H3,(H,20,23)
InChIKeyBRQTXXMLBTVZMR-UHFFFAOYSA-N
XLogP4.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-1,3-diphenylthiourea
CID 838392
1-ethyl-1-(3-methylphenyl)-3-phenylthiourea
CID 115577646
1-(aminosulfanylmethyl)-1,3-diphenylthiourea
CID 90755015
1,1-dibutyl-3-phenylthiourea
CID 3101699
2-[N-[2-(diethylamino)ethyl]anilino]ethanol
CID 110016854
1-(dimethylamino)-1,3-diphenylthiourea
CID 174700414
3-carbamothioyl-1-phenyl-1-propylthiourea
CID 24835818
1-benzyl-1-ethyl-3-phenylthiourea
CID 3561753
1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea
CID 4612981
1-anilino-1,3-diphenylthiourea
CID 71327325
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
copper(1+);N-ethyl-N-phenylcarbamodithioate
CID 142768613

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea?
The IUPAC name of 1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea (CID 5140739) is 1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea is CCN(CC)CCN(C(=S)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea?
The InChIKey is BRQTXXMLBTVZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3S/c1-3-21(4-2)15-16-22(18-13-9-6-10-14-18)19(23)20-17-11-7-5-8-12-17/h5-14H,3-4,15-16H2,1-2H3,(H,20,23).
What are the key properties of 1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea?
1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea has a molecular weight of 327.50 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea is sourced from PubChem (CID 5140739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).