1-(dimethylamino)-3-propan-2-ylthiourea

C6H15N3S — CID 22760525

IUPAC1-(dimethylamino)-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)NN(C)C
InChIInChI=1S/C6H15N3S/c1-5(2)7-6(10)8-9(3)4/h5H,1-4H3,(H2,7,8,10)
InChIKeyAYSAKJQARZXGNE-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.34
Rot. Bonds2

About 1-(dimethylamino)-3-propan-2-ylthiourea

1-(dimethylamino)-3-propan-2-ylthiourea (PubChem CID 22760525) has the molecular formula C6H15N3S and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-(dimethylamino)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(dimethylamino)-3-propan-2-ylthiourea
PubChem CID22760525
Molecular FormulaC6H15N3S
Molecular Weight161.27 g/mol
Exact Mass161.10
IUPAC Name1-(dimethylamino)-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)NN(C)C
InChIInChI=1S/C6H15N3S/c1-5(2)7-6(10)8-9(3)4/h5H,1-4H3,(H2,7,8,10)
InChIKeyAYSAKJQARZXGNE-UHFFFAOYSA-N
XLogP0.34
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Ethyl-3-thiosemicarbazide
CID 1551780
3-Amino-1-butylthiourea
CID 1810303
3-Amino-1-(butan-2-yl)-3-methylthiourea
CID 16226736
n-Propylhydrazinecarbothioamide
CID 1810736
3-Amino-1-butyl-3-methylthiourea
CID 2375050
3-Amino-1-cyclopropylthiourea
CID 1808158
4-Isopropyl-3-thiosemicarbazide
CID 1809376
1-Ethyl-3-(ethylcarbamothioylamino)thiourea
CID 3500055
3-Amino-1-cyclobutylthiourea
CID 52346214
1-Amino-3-(ethylcarbamothioylamino)thiourea
CID 130721573
Amino-isopropylisothiourea
CID 20847906
4-Sec-butyl-thiosemicarbazide
CID 3962768

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-propan-2-ylthiourea?
The IUPAC name of 1-(dimethylamino)-3-propan-2-ylthiourea (CID 22760525) is 1-(dimethylamino)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(dimethylamino)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(dimethylamino)-3-propan-2-ylthiourea is CC(C)NC(=S)NN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-propan-2-ylthiourea?
The InChIKey is AYSAKJQARZXGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3S/c1-5(2)7-6(10)8-9(3)4/h5H,1-4H3,(H2,7,8,10).
What are the key properties of 1-(dimethylamino)-3-propan-2-ylthiourea?
1-(dimethylamino)-3-propan-2-ylthiourea has a molecular weight of 161.27 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-propan-2-ylthiourea is sourced from PubChem (CID 22760525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).