CID 140650364

C19H18N2S — CID 140650364

IUPAC—
SMILES[H]/N=c1\scc(-c2ccc([CH])c(C)c2)n1-c1ccc(C)cc1C
InChIInChI=1S/C19H18N2S/c1-12-5-8-17(15(4)9-12)21-18(11-22-19(21)20)16-7-6-13(2)14(3)10-16/h2,5-11,20H,1,3-4H3/b20-19-
InChIKeyKNIXMRWTNMROGH-VXPUYCOJSA-N
MW306.43 g/mol
LogP4.67
Rot. Bonds2

About CID 140650364

CID 140650364 (PubChem CID 140650364) has the molecular formula C19H18N2S and a molecular weight of 306.43 g/mol.

Molecular Properties

Compound NameCID 140650364
PubChem CID140650364
Molecular FormulaC19H18N2S
Molecular Weight306.43 g/mol
Exact Mass306.12
IUPAC Name—
SMILES[H]/N=c1\scc(-c2ccc([CH])c(C)c2)n1-c1ccc(C)cc1C
InChIInChI=1S/C19H18N2S/c1-12-5-8-17(15(4)9-12)21-18(11-22-19(21)20)16-7-6-13(2)14(3)10-16/h2,5-11,20H,1,3-4H3/b20-19-
InChIKeyKNIXMRWTNMROGH-VXPUYCOJSA-N
XLogP4.67
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 140650364?
The IUPAC name of CID 140650364 (CID 140650364) is not available.
What is the SMILES notation for CID 140650364?
The canonical SMILES for CID 140650364 is [H]/N=c1\scc(-c2ccc([CH])c(C)c2)n1-c1ccc(C)cc1C.
What is the InChIKey of CID 140650364?
The InChIKey is KNIXMRWTNMROGH-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H18N2S/c1-12-5-8-17(15(4)9-12)21-18(11-22-19(21)20)16-7-6-13(2)14(3)10-16/h2,5-11,20H,1,3-4H3/b20-19-.
What are the key properties of CID 140650364?
CID 140650364 has a molecular weight of 306.43 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140650364 is sourced from PubChem (CID 140650364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).