1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea

C10H15N3S — CID 134242005

IUPAC1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea
SMILESCNCc1ccc(NC(=S)NC)cc1
InChIInChI=1S/C10H15N3S/c1-11-7-8-3-5-9(6-4-8)13-10(14)12-2/h3-6,11H,7H2,1-2H3,(H2,12,13,14)
InChIKeyRHGGEBPJLRDQJI-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.32
Rot. Bonds3

About 1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea

1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea (PubChem CID 134242005) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea.

Molecular Properties

Compound Name1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea
PubChem CID134242005
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea
SMILESCNCc1ccc(NC(=S)NC)cc1
InChIInChI=1S/C10H15N3S/c1-11-7-8-3-5-9(6-4-8)13-10(14)12-2/h3-6,11H,7H2,1-2H3,(H2,12,13,14)
InChIKeyRHGGEBPJLRDQJI-UHFFFAOYSA-N
XLogP1.32
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[4-[(propan-2-ylamino)methyl]phenyl]thiourea
CID 134369499
1-methyl-3-[4-(2-methyliodanuidylethyl)phenyl]thiourea
CID 163723607
N-[4-(methylcarbamothioylamino)phenyl]acetamide
CID 7941957
1-[4-(methylaminomethyl)phenyl]-3-(6-oxoheptyl)thiourea
CID 177228186
1-(cyclodecapentaenyl)-3-methylthiourea
CID 166736589
1-methyl-3-(4-nitrophenyl)thiourea
CID 2957676
2-hydroxy-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909836
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]thiourea
CID 4533202
N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
CID 106909905
1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 8659235
ethane;4-(methylcarbamothioylamino)benzoic acid
CID 143850051
1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 3834758

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea?
The IUPAC name of 1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea (CID 134242005) is 1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea.
What is the SMILES notation for 1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea?
The canonical SMILES for 1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea is CNCc1ccc(NC(=S)NC)cc1.
What is the InChIKey of 1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea?
The InChIKey is RHGGEBPJLRDQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-11-7-8-3-5-9(6-4-8)13-10(14)12-2/h3-6,11H,7H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea?
1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea has a molecular weight of 209.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea is sourced from PubChem (CID 134242005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).