1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea

C19H22N4S — CID 71940899

IUPAC1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea
SMILESCc1nn(C)c(C)c1CCNC(=S)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H22N4S/c1-13-18(14(2)23(3)22-13)10-11-20-19(24)21-17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12H,10-11H2,1-3H3,(H2,20,21,24)
InChIKeyXVMNVGOWGSJMPE-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.72
Rot. Bonds4

About 1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea

1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea (PubChem CID 71940899) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea
PubChem CID71940899
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea
SMILESCc1nn(C)c(C)c1CCNC(=S)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H22N4S/c1-13-18(14(2)23(3)22-13)10-11-20-19(24)21-17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12H,10-11H2,1-3H3,(H2,20,21,24)
InChIKeyXVMNVGOWGSJMPE-UHFFFAOYSA-N
XLogP3.72
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.72
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-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea?
The IUPAC name of 1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea (CID 71940899) is 1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea.
What is the SMILES notation for 1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea?
The canonical SMILES for 1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea is Cc1nn(C)c(C)c1CCNC(=S)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea?
The InChIKey is XVMNVGOWGSJMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-13-18(14(2)23(3)22-13)10-11-20-19(24)21-17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12H,10-11H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea?
1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea has a molecular weight of 338.48 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea is sourced from PubChem (CID 71940899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).