1-(1-ethylindazol-5-yl)-3-methylthiourea

C11H14N4S — CID 119082148

IUPAC1-(1-ethylindazol-5-yl)-3-methylthiourea
SMILESCCn1ncc2cc(NC(=S)NC)ccc21
InChIInChI=1S/C11H14N4S/c1-3-15-10-5-4-9(14-11(16)12-2)6-8(10)7-13-15/h4-7H,3H2,1-2H3,(H2,12,14,16)
InChIKeyRBKSTARYXNZNOR-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.97
Rot. Bonds2

About 1-(1-ethylindazol-5-yl)-3-methylthiourea

1-(1-ethylindazol-5-yl)-3-methylthiourea (PubChem CID 119082148) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-(1-ethylindazol-5-yl)-3-methylthiourea.

Molecular Properties

Compound Name1-(1-ethylindazol-5-yl)-3-methylthiourea
PubChem CID119082148
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name1-(1-ethylindazol-5-yl)-3-methylthiourea
SMILESCCn1ncc2cc(NC(=S)NC)ccc21
InChIInChI=1S/C11H14N4S/c1-3-15-10-5-4-9(14-11(16)12-2)6-8(10)7-13-15/h4-7H,3H2,1-2H3,(H2,12,14,16)
InChIKeyRBKSTARYXNZNOR-UHFFFAOYSA-N
XLogP1.97
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
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-ethylindazol-5-yl)-3-methylthiourea?
The IUPAC name of 1-(1-ethylindazol-5-yl)-3-methylthiourea (CID 119082148) is 1-(1-ethylindazol-5-yl)-3-methylthiourea.
What is the SMILES notation for 1-(1-ethylindazol-5-yl)-3-methylthiourea?
The canonical SMILES for 1-(1-ethylindazol-5-yl)-3-methylthiourea is CCn1ncc2cc(NC(=S)NC)ccc21.
What is the InChIKey of 1-(1-ethylindazol-5-yl)-3-methylthiourea?
The InChIKey is RBKSTARYXNZNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-3-15-10-5-4-9(14-11(16)12-2)6-8(10)7-13-15/h4-7H,3H2,1-2H3,(H2,12,14,16).
What are the key properties of 1-(1-ethylindazol-5-yl)-3-methylthiourea?
1-(1-ethylindazol-5-yl)-3-methylthiourea has a molecular weight of 234.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindazol-5-yl)-3-methylthiourea is sourced from PubChem (CID 119082148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).