1-(dimethylamino)-3-ethylthiourea

C5H13N3S — CID 4253634

IUPAC1-(dimethylamino)-3-ethylthiourea
SMILESCCNC(=S)NN(C)C
InChIInChI=1S/C5H13N3S/c1-4-6-5(9)7-8(2)3/h4H2,1-3H3,(H2,6,7,9)
InChIKeyIKOBOGCMFZUZOI-UHFFFAOYSA-N
MW147.25 g/mol
LogP-0.05
Rot. Bonds2

About 1-(dimethylamino)-3-ethylthiourea

1-(dimethylamino)-3-ethylthiourea (PubChem CID 4253634) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is 1-(dimethylamino)-3-ethylthiourea.

Molecular Properties

Compound Name1-(dimethylamino)-3-ethylthiourea
PubChem CID4253634
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Name1-(dimethylamino)-3-ethylthiourea
SMILESCCNC(=S)NN(C)C
InChIInChI=1S/C5H13N3S/c1-4-6-5(9)7-8(2)3/h4H2,1-3H3,(H2,6,7,9)
InChIKeyIKOBOGCMFZUZOI-UHFFFAOYSA-N
XLogP-0.05
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 5-0.05
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
4-Isopropyl-3-thiosemicarbazide
CID 1809376
1-Amino-3-(2,2-dimethylpropyl)thiourea
CID 2798089
1-Amino-3-[2-(aminocarbamothioylamino)ethyl]thiourea
CID 3005301
1-Ethyl-3-(ethylcarbamothioylamino)thiourea
CID 3500055
3-Amino-3-methyl-1-(2-methylpropyl)thiourea
CID 7130862
1-Amino-3-(ethylcarbamothioylamino)thiourea
CID 130721573
4-Sec-butyl-thiosemicarbazide
CID 3962768

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-ethylthiourea?
The IUPAC name of 1-(dimethylamino)-3-ethylthiourea (CID 4253634) is 1-(dimethylamino)-3-ethylthiourea.
What is the SMILES notation for 1-(dimethylamino)-3-ethylthiourea?
The canonical SMILES for 1-(dimethylamino)-3-ethylthiourea is CCNC(=S)NN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-ethylthiourea?
The InChIKey is IKOBOGCMFZUZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-4-6-5(9)7-8(2)3/h4H2,1-3H3,(H2,6,7,9).
What are the key properties of 1-(dimethylamino)-3-ethylthiourea?
1-(dimethylamino)-3-ethylthiourea has a molecular weight of 147.25 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-ethylthiourea is sourced from PubChem (CID 4253634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).