1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea

C14H19IN4OS — CID 2402954

IUPAC1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
SMILESS=C(NCCN1CCOCC1)NN=Cc1ccccc1I
InChIInChI=1S/C14H19IN4OS/c15-13-4-2-1-3-12(13)11-17-18-14(21)16-5-6-19-7-9-20-10-8-19/h1-4,11H,5-10H2,(H2,16,18,21)
InChIKeyFEBNSPUTVORKPM-UHFFFAOYSA-N
MW418.30 g/mol
LogP1.42
Rot. Bonds5

About 1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea

1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 2402954) has the molecular formula C14H19IN4OS and a molecular weight of 418.30 g/mol. Its IUPAC name is 1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID2402954
Molecular FormulaC14H19IN4OS
Molecular Weight418.30 g/mol
Exact Mass418.03
IUPAC Name1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
SMILESS=C(NCCN1CCOCC1)NN=Cc1ccccc1I
InChIInChI=1S/C14H19IN4OS/c15-13-4-2-1-3-12(13)11-17-18-14(21)16-5-6-19-7-9-20-10-8-19/h1-4,11H,5-10H2,(H2,16,18,21)
InChIKeyFEBNSPUTVORKPM-UHFFFAOYSA-N
XLogP1.42
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 135433240
1-[(E)-(1-methylindol-3-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508506
1-(3-morpholin-4-ylpropyl)-3-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]thiourea
CID 9411411
1-[(E)-(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 6902586
1-[(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 2364737
1-(2-morpholin-4-ylethyl)-3-[(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 2369734
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 135731420
1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea
CID 7934173
1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508432
1-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508502
1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea
CID 7934135
1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411568

Frequently Asked Questions

What is the IUPAC name of 1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea (CID 2402954) is 1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea is S=C(NCCN1CCOCC1)NN=Cc1ccccc1I.
What is the InChIKey of 1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is FEBNSPUTVORKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN4OS/c15-13-4-2-1-3-12(13)11-17-18-14(21)16-5-6-19-7-9-20-10-8-19/h1-4,11H,5-10H2,(H2,16,18,21).
What are the key properties of 1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 418.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 2402954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).