1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea

C13H21N3S — CID 115570600

IUPAC1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea
SMILESCN(C)C(C)(C)CNC(=S)Nc1ccccc1
InChIInChI=1S/C13H21N3S/c1-13(2,16(3)4)10-14-12(17)15-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H2,14,15,17)
InChIKeyGMSPHRBHAUFOTL-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.31
Rot. Bonds4

About 1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea

1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea (PubChem CID 115570600) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea
PubChem CID115570600
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea
SMILESCN(C)C(C)(C)CNC(=S)Nc1ccccc1
InChIInChI=1S/C13H21N3S/c1-13(2,16(3)4)10-14-12(17)15-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H2,14,15,17)
InChIKeyGMSPHRBHAUFOTL-UHFFFAOYSA-N
XLogP2.31
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea 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-(2-ethoxy-2-methylpropyl)-3-phenylthiourea
CID 114941586
1-phenyl-3-[7-(phenylcarbamothioylamino)heptyl]thiourea
CID 3094104
1-[2-tert-butyl-5-(dimethylamino)pentyl]-3-phenylthiourea
CID 11674177
1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)thiourea
CID 168749874
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylthiourea
CID 5081972
2-(phenylcarbamothioylamino)acetic acid
CID 3000722
1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-phenylthiourea
CID 15620960
2-benzyl-1-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine
CID 110953942
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-ethylphenyl)thiourea
CID 8615986
1-phenyl-3-[[2,4,6-triethyl-3,5-bis[(phenylcarbamothioylamino)methyl]phenyl]methyl]thiourea
CID 122215413
dimethyl-[2-(phenylcarbamothioylamino)ethyl]azanium
CID 4745810
1-(cyclodecapentaenyl)-3-methylthiourea
CID 166736589

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea?
The IUPAC name of 1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea (CID 115570600) is 1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea?
The canonical SMILES for 1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea is CN(C)C(C)(C)CNC(=S)Nc1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea?
The InChIKey is GMSPHRBHAUFOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-13(2,16(3)4)10-14-12(17)15-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H2,14,15,17).
What are the key properties of 1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea?
1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea has a molecular weight of 251.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-methylpropyl]-3-phenylthiourea is sourced from PubChem (CID 115570600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).