(2,5-dimethylpyrazol-3-yl)thiourea

C6H10N4S — CID 12763851

IUPAC(2,5-dimethylpyrazol-3-yl)thiourea
SMILESCc1cc(NC(N)=S)n(C)n1
InChIInChI=1S/C6H10N4S/c1-4-3-5(8-6(7)11)10(2)9-4/h3H,1-2H3,(H3,7,8,11)
InChIKeyDPCYWXJDYRBQRE-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.38
Rot. Bonds1

About (2,5-dimethylpyrazol-3-yl)thiourea

(2,5-dimethylpyrazol-3-yl)thiourea (PubChem CID 12763851) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)thiourea.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)thiourea
PubChem CID12763851
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name(2,5-dimethylpyrazol-3-yl)thiourea
SMILESCc1cc(NC(N)=S)n(C)n1
InChIInChI=1S/C6H10N4S/c1-4-3-5(8-6(7)11)10(2)9-4/h3H,1-2H3,(H3,7,8,11)
InChIKeyDPCYWXJDYRBQRE-UHFFFAOYSA-N
XLogP0.38
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.38
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 (2,5-dimethylpyrazol-3-yl)thiourea?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)thiourea (CID 12763851) is (2,5-dimethylpyrazol-3-yl)thiourea.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)thiourea?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)thiourea is Cc1cc(NC(N)=S)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)thiourea?
The InChIKey is DPCYWXJDYRBQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-4-3-5(8-6(7)11)10(2)9-4/h3H,1-2H3,(H3,7,8,11).
What are the key properties of (2,5-dimethylpyrazol-3-yl)thiourea?
(2,5-dimethylpyrazol-3-yl)thiourea has a molecular weight of 170.24 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)thiourea is sourced from PubChem (CID 12763851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).