3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea

C19H24ClN3OS2 — CID 5073032

IUPAC3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea
SMILESS=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C19H24ClN3OS2/c20-16-4-6-17(7-5-16)21-19(25)23(15-18-3-1-14-26-18)9-2-8-22-10-12-24-13-11-22/h1,3-7,14H,2,8-13,15H2,(H,21,25)
InChIKeyJHROFODYNBRCIE-UHFFFAOYSA-N
MW410.01 g/mol
LogP4.32
Rot. Bonds7

About 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea

3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea (PubChem CID 5073032) has the molecular formula C19H24ClN3OS2 and a molecular weight of 410.01 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea
PubChem CID5073032
Molecular FormulaC19H24ClN3OS2
Molecular Weight410.01 g/mol
Exact Mass409.10
IUPAC Name3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea
SMILESS=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C19H24ClN3OS2/c20-16-4-6-17(7-5-16)21-19(25)23(15-18-3-1-14-26-18)9-2-8-22-10-12-24-13-11-22/h1,3-7,14H,2,8-13,15H2,(H,21,25)
InChIKeyJHROFODYNBRCIE-UHFFFAOYSA-N
XLogP4.32
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.01
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(morpholin-4-yl)-N-(thiophen-2-ylmethyl)aniline
CID 755952
1-(4-Chlorophenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2257886
3-(4-Chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea
CID 4257356
N'-(4-chlorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(thien-2-ylmethyl)thiourea
CID 5073031
1-(4-Fluorophenyl)-3-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)thiourea
CID 16195014
1-(1-Morpholino-1-(thiophen-2-yl)propan-2-yl)-3-phenylthiourea
CID 16195002
1-(3-Morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 4247300
N'-(3-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-N-(thien-2-ylmethyl)thiourea
CID 4059827
N'-(2-ethylphenyl)-N-(3-morpholin-4-ylpropyl)-N-(thien-2-ylmethyl)thiourea
CID 4086724
N'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-N-(thien-2-ylmethyl)thiourea
CID 4152513
N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-N-(thien-2-ylmethyl)thiourea
CID 4458493
3-(3,4-Dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea
CID 5093320

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea (CID 5073032) is 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea is S=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccs1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea?
The InChIKey is JHROFODYNBRCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3OS2/c20-16-4-6-17(7-5-16)21-19(25)23(15-18-3-1-14-26-18)9-2-8-22-10-12-24-13-11-22/h1,3-7,14H,2,8-13,15H2,(H,21,25).
What are the key properties of 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea?
3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea has a molecular weight of 410.01 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 5073032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).