1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea

C15H18N4OS — CID 829173

IUPAC1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea
SMILESCN(C)c1ccc(C=NNC(=S)NCc2ccco2)cc1
InChIInChI=1S/C15H18N4OS/c1-19(2)13-7-5-12(6-8-13)10-17-18-15(21)16-11-14-4-3-9-20-14/h3-10H,11H2,1-2H3,(H2,16,18,21)
InChIKeySEUJBLRENXKWQS-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.34
Rot. Bonds5

About 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea

1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea (PubChem CID 829173) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea
PubChem CID829173
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea
SMILESCN(C)c1ccc(C=NNC(=S)NCc2ccco2)cc1
InChIInChI=1S/C15H18N4OS/c1-19(2)13-7-5-12(6-8-13)10-17-18-15(21)16-11-14-4-3-9-20-14/h3-10H,11H2,1-2H3,(H2,16,18,21)
InChIKeySEUJBLRENXKWQS-UHFFFAOYSA-N
XLogP2.34
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea?
The IUPAC name of 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea (CID 829173) is 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea is CN(C)c1ccc(C=NNC(=S)NCc2ccco2)cc1.
What is the InChIKey of 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea?
The InChIKey is SEUJBLRENXKWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-19(2)13-7-5-12(6-8-13)10-17-18-15(21)16-11-14-4-3-9-20-14/h3-10H,11H2,1-2H3,(H2,16,18,21).
What are the key properties of 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea?
1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea has a molecular weight of 302.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 829173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).