1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea

C14H14ClN3O2S — CID 154432661

IUPAC1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea
SMILESOCCNC(=S)NN=Cc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C14H14ClN3O2S/c15-12-4-2-1-3-11(12)13-6-5-10(20-13)9-17-18-14(21)16-7-8-19/h1-6,9,19H,7-8H2,(H2,16,18,21)
InChIKeyQAKXBZLODREHEC-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.39
Rot. Bonds5

About 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea

1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea (PubChem CID 154432661) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea.

Molecular Properties

Compound Name1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea
PubChem CID154432661
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea
SMILESOCCNC(=S)NN=Cc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C14H14ClN3O2S/c15-12-4-2-1-3-11(12)13-6-5-10(20-13)9-17-18-14(21)16-7-8-19/h1-6,9,19H,7-8H2,(H2,16,18,21)
InChIKeyQAKXBZLODREHEC-UHFFFAOYSA-N
XLogP2.39
TPSA69.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
CID 1101255
[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 21235204
[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
CID 5412189
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 947493
methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 740775
1-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
CID 3104270
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 5409337
1-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-3-(2-methoxyethyl)thiourea
CID 76572301
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 45037872
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-3-(2-pyrrolidin-1-ylethyl)thiourea
CID 154432667
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 6863548
1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea
CID 94829795

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea?
The IUPAC name of 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea (CID 154432661) is 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea.
What is the SMILES notation for 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea?
The canonical SMILES for 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea is OCCNC(=S)NN=Cc1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea?
The InChIKey is QAKXBZLODREHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c15-12-4-2-1-3-11(12)13-6-5-10(20-13)9-17-18-14(21)16-7-8-19/h1-6,9,19H,7-8H2,(H2,16,18,21).
What are the key properties of 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea?
1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea has a molecular weight of 323.81 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea is sourced from PubChem (CID 154432661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).