1,1,3-trimethyl-3-(1,3-thiazol-2-yl)thiourea

C7H11N3S2 — CID 15557071

IUPAC1,1,3-trimethyl-3-(1,3-thiazol-2-yl)thiourea
SMILESCN(C)C(=S)N(C)c1nccs1
InChIInChI=1S/C7H11N3S2/c1-9(2)7(11)10(3)6-8-4-5-12-6/h4-5H,1-3H3
InChIKeyQZRGITOUSKREGQ-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.43
Rot. Bonds1

About 1,1,3-trimethyl-3-(1,3-thiazol-2-yl)thiourea

1,1,3-trimethyl-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 15557071) has the molecular formula C7H11N3S2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-(1,3-thiazol-2-yl)thiourea
PubChem CID15557071
Molecular FormulaC7H11N3S2
Molecular Weight201.32 g/mol
Exact Mass201.04
IUPAC Name1,1,3-trimethyl-3-(1,3-thiazol-2-yl)thiourea
SMILESCN(C)C(=S)N(C)c1nccs1
InChIInChI=1S/C7H11N3S2/c1-9(2)7(11)10(3)6-8-4-5-12-6/h4-5H,1-3H3
InChIKeyQZRGITOUSKREGQ-UHFFFAOYSA-N
XLogP1.43
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1,1,3-trimethyl-3-(1,3-thiazol-2-yl)thiourea (CID 15557071) is 1,1,3-trimethyl-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1,1,3-trimethyl-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1,1,3-trimethyl-3-(1,3-thiazol-2-yl)thiourea is CN(C)C(=S)N(C)c1nccs1.
What is the InChIKey of 1,1,3-trimethyl-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is QZRGITOUSKREGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S2/c1-9(2)7(11)10(3)6-8-4-5-12-6/h4-5H,1-3H3.
What are the key properties of 1,1,3-trimethyl-3-(1,3-thiazol-2-yl)thiourea?
1,1,3-trimethyl-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 201.32 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 15557071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).