[4-[3-(methylamino)prop-1-enyl]phenyl]thiourea

C11H15N3S — CID 169473910

IUPAC[4-[3-(methylamino)prop-1-enyl]phenyl]thiourea
SMILESCNCC=Cc1ccc(NC(N)=S)cc1
InChIInChI=1S/C11H15N3S/c1-13-8-2-3-9-4-6-10(7-5-9)14-11(12)15/h2-7,13H,8H2,1H3,(H3,12,14,15)
InChIKeyDTYONUFCSYGAER-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.57
Rot. Bonds4

About [4-[3-(methylamino)prop-1-enyl]phenyl]thiourea

[4-[3-(methylamino)prop-1-enyl]phenyl]thiourea (PubChem CID 169473910) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is [4-[3-(methylamino)prop-1-enyl]phenyl]thiourea.

Molecular Properties

Compound Name[4-[3-(methylamino)prop-1-enyl]phenyl]thiourea
PubChem CID169473910
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name[4-[3-(methylamino)prop-1-enyl]phenyl]thiourea
SMILESCNCC=Cc1ccc(NC(N)=S)cc1
InChIInChI=1S/C11H15N3S/c1-13-8-2-3-9-4-6-10(7-5-9)14-11(12)15/h2-7,13H,8H2,1H3,(H3,12,14,15)
InChIKeyDTYONUFCSYGAER-UHFFFAOYSA-N
XLogP1.57
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(methylamino)prop-1-enyl]phenyl]thiourea?
The IUPAC name of [4-[3-(methylamino)prop-1-enyl]phenyl]thiourea (CID 169473910) is [4-[3-(methylamino)prop-1-enyl]phenyl]thiourea.
What is the SMILES notation for [4-[3-(methylamino)prop-1-enyl]phenyl]thiourea?
The canonical SMILES for [4-[3-(methylamino)prop-1-enyl]phenyl]thiourea is CNCC=Cc1ccc(NC(N)=S)cc1.
What is the InChIKey of [4-[3-(methylamino)prop-1-enyl]phenyl]thiourea?
The InChIKey is DTYONUFCSYGAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-13-8-2-3-9-4-6-10(7-5-9)14-11(12)15/h2-7,13H,8H2,1H3,(H3,12,14,15).
What are the key properties of [4-[3-(methylamino)prop-1-enyl]phenyl]thiourea?
[4-[3-(methylamino)prop-1-enyl]phenyl]thiourea has a molecular weight of 221.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(methylamino)prop-1-enyl]phenyl]thiourea is sourced from PubChem (CID 169473910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).