CID 10358846

C18H19N4S — CID 10358846

IUPAC—
SMILESCC(C)(C)C1=NN(c2ccccc2)C(=S)N(c2ccccc2)[N]1
InChIInChI=1S/C18H19N4S/c1-18(2,3)16-19-21(14-10-6-4-7-11-14)17(23)22(20-16)15-12-8-5-9-13-15/h4-13H,1-3H3
InChIKeyXNHWEJQQZOWVQM-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.18
Rot. Bonds2

About CID 10358846

CID 10358846 (PubChem CID 10358846) has the molecular formula C18H19N4S and a molecular weight of 323.44 g/mol.

Molecular Properties

Compound NameCID 10358846
PubChem CID10358846
Molecular FormulaC18H19N4S
Molecular Weight323.44 g/mol
Exact Mass323.13
IUPAC Name—
SMILESCC(C)(C)C1=NN(c2ccccc2)C(=S)N(c2ccccc2)[N]1
InChIInChI=1S/C18H19N4S/c1-18(2,3)16-19-21(14-10-6-4-7-11-14)17(23)22(20-16)15-12-8-5-9-13-15/h4-13H,1-3H3
InChIKeyXNHWEJQQZOWVQM-UHFFFAOYSA-N
XLogP4.18
TPSA32.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 CID 10358846?
The IUPAC name of CID 10358846 (CID 10358846) is not available.
What is the SMILES notation for CID 10358846?
The canonical SMILES for CID 10358846 is CC(C)(C)C1=NN(c2ccccc2)C(=S)N(c2ccccc2)[N]1.
What is the InChIKey of CID 10358846?
The InChIKey is XNHWEJQQZOWVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N4S/c1-18(2,3)16-19-21(14-10-6-4-7-11-14)17(23)22(20-16)15-12-8-5-9-13-15/h4-13H,1-3H3.
What are the key properties of CID 10358846?
CID 10358846 has a molecular weight of 323.44 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10358846 is sourced from PubChem (CID 10358846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).