1-prop-2-enyl-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea

C14H14N4S — CID 155548774

IUPAC1-prop-2-enyl-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea
SMILESC=CCNC(=S)N/N=C\c1ccnc2ccccc12
InChIInChI=1S/C14H14N4S/c1-2-8-16-14(19)18-17-10-11-7-9-15-13-6-4-3-5-12(11)13/h2-7,9-10H,1,8H2,(H2,16,18,19)/b17-10-
InChIKeyHYGPVJCBQUQNCU-YVLHZVERSA-N
MW270.36 g/mol
LogP2.22
Rot. Bonds4

About 1-prop-2-enyl-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea

1-prop-2-enyl-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea (PubChem CID 155548774) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-prop-2-enyl-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea.

Molecular Properties

Compound Name1-prop-2-enyl-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea
PubChem CID155548774
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name1-prop-2-enyl-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea
SMILESC=CCNC(=S)N/N=C\c1ccnc2ccccc12
InChIInChI=1S/C14H14N4S/c1-2-8-16-14(19)18-17-10-11-7-9-15-13-6-4-3-5-12(11)13/h2-7,9-10H,1,8H2,(H2,16,18,19)/b17-10-
InChIKeyHYGPVJCBQUQNCU-YVLHZVERSA-N
XLogP2.22
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-prop-2-enyl-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea?
The IUPAC name of 1-prop-2-enyl-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea (CID 155548774) is 1-prop-2-enyl-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea.
What is the SMILES notation for 1-prop-2-enyl-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea?
The canonical SMILES for 1-prop-2-enyl-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea is C=CCNC(=S)N/N=C\c1ccnc2ccccc12.
What is the InChIKey of 1-prop-2-enyl-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea?
The InChIKey is HYGPVJCBQUQNCU-YVLHZVERSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-8-16-14(19)18-17-10-11-7-9-15-13-6-4-3-5-12(11)13/h2-7,9-10H,1,8H2,(H2,16,18,19)/b17-10-.
What are the key properties of 1-prop-2-enyl-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea?
1-prop-2-enyl-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea has a molecular weight of 270.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea is sourced from PubChem (CID 155548774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).