1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea

C15H24N4S2 — CID 101382533

IUPAC1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea
SMILESCNC(=S)NCc1cc(CNC(=S)NC)cc(C(C)C)c1
InChIInChI=1S/C15H24N4S2/c1-10(2)13-6-11(8-18-14(20)16-3)5-12(7-13)9-19-15(21)17-4/h5-7,10H,8-9H2,1-4H3,(H2,16,18,20)(H2,17,19,21)
InChIKeyQULRHCHGVMPBTM-UHFFFAOYSA-N
MW324.52 g/mol
LogP2.00
Rot. Bonds5

About 1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea

1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea (PubChem CID 101382533) has the molecular formula C15H24N4S2 and a molecular weight of 324.52 g/mol. Its IUPAC name is 1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea.

Molecular Properties

Compound Name1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea
PubChem CID101382533
Molecular FormulaC15H24N4S2
Molecular Weight324.52 g/mol
Exact Mass324.14
IUPAC Name1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea
SMILESCNC(=S)NCc1cc(CNC(=S)NC)cc(C(C)C)c1
InChIInChI=1S/C15H24N4S2/c1-10(2)13-6-11(8-18-14(20)16-3)5-12(7-13)9-19-15(21)17-4/h5-7,10H,8-9H2,1-4H3,(H2,16,18,20)(H2,17,19,21)
InChIKeyQULRHCHGVMPBTM-UHFFFAOYSA-N
XLogP2.00
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[(4-propan-2-ylphenyl)methyl]thiourea
CID 115591677
1-methyl-3-(pyridin-4-ylmethyl)thiourea
CID 2725230
[3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol
CID 122692713
1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea
CID 58988184
1-ethyl-3-[[3-[(ethylcarbamothioylamino)methyl]-5-methylphenyl]methyl]thiourea
CID 86082414
1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine
CID 84774711
1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675515
1-methyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675506
1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)thiourea
CID 115687436
1-[(4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)thiourea
CID 972265
1-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-3-methylthiourea
CID 22095413
1-benzyl-3-(2-phenylpropyl)thiourea
CID 84823017

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea?
The IUPAC name of 1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea (CID 101382533) is 1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea.
What is the SMILES notation for 1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea?
The canonical SMILES for 1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea is CNC(=S)NCc1cc(CNC(=S)NC)cc(C(C)C)c1.
What is the InChIKey of 1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea?
The InChIKey is QULRHCHGVMPBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S2/c1-10(2)13-6-11(8-18-14(20)16-3)5-12(7-13)9-19-15(21)17-4/h5-7,10H,8-9H2,1-4H3,(H2,16,18,20)(H2,17,19,21).
What are the key properties of 1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea?
1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea has a molecular weight of 324.52 g/mol, XLogP of 2.00, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea is sourced from PubChem (CID 101382533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).