1-[4-(diethylamino)phenyl]-3-propylthiourea

C14H23N3S — CID 7942260

IUPAC1-[4-(diethylamino)phenyl]-3-propylthiourea
SMILESCCCNC(=S)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C14H23N3S/c1-4-11-15-14(18)16-12-7-9-13(10-8-12)17(5-2)6-3/h7-10H,4-6,11H2,1-3H3,(H2,15,16,18)
InChIKeyZXTGJAJAOKXWKT-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.23
Rot. Bonds6

About 1-[4-(diethylamino)phenyl]-3-propylthiourea

1-[4-(diethylamino)phenyl]-3-propylthiourea (PubChem CID 7942260) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-propylthiourea
PubChem CID7942260
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name1-[4-(diethylamino)phenyl]-3-propylthiourea
SMILESCCCNC(=S)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C14H23N3S/c1-4-11-15-14(18)16-12-7-9-13(10-8-12)17(5-2)6-3/h7-10H,4-6,11H2,1-3H3,(H2,15,16,18)
InChIKeyZXTGJAJAOKXWKT-UHFFFAOYSA-N
XLogP3.23
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(diethylamino)phenyl]-3-ethylthiourea;hydrochloride
CID 117067446
1-(2-tert-butylsulfanylethyl)-3-[4-(diethylamino)phenyl]thiourea
CID 3336288
1-(4-bromophenyl)-3-propylthiourea
CID 2244101
1-propyl-3-(4-sulfanylphenyl)thiourea
CID 43836141
1-(4,4-diethoxybutyl)-3-[4-(diethylamino)phenyl]thiourea
CID 3854982
1-[4-(diethylamino)phenyl]-3-(2-thiophen-2-ylethyl)thiourea
CID 3827341
1-(4-methylsulfanylphenyl)-3-propylthiourea
CID 115573736
1-(4-methylphenyl)-3-(propylcarbamothioylamino)thiourea
CID 7988089
1-[2-(N-ethyl-4-methylanilino)ethyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100753484
1-[4-(diethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]thiourea
CID 3849340
1-[4-(diethylamino)phenyl]-3-hexylurea
CID 71323969
1-(4-bromo-3-methylphenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]thiourea
CID 100753254

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-propylthiourea?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-propylthiourea (CID 7942260) is 1-[4-(diethylamino)phenyl]-3-propylthiourea.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-propylthiourea?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-propylthiourea is CCCNC(=S)Nc1ccc(N(CC)CC)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-propylthiourea?
The InChIKey is ZXTGJAJAOKXWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-4-11-15-14(18)16-12-7-9-13(10-8-12)17(5-2)6-3/h7-10H,4-6,11H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-[4-(diethylamino)phenyl]-3-propylthiourea?
1-[4-(diethylamino)phenyl]-3-propylthiourea has a molecular weight of 265.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-propylthiourea is sourced from PubChem (CID 7942260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).