(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenylcyanamide

C17H13N3S — CID 15373837

IUPAC(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenylcyanamide
SMILESCc1sc(N(C#N)c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H13N3S/c1-13-16(14-8-4-2-5-9-14)19-17(21-13)20(12-18)15-10-6-3-7-11-15/h2-11H,1H3
InChIKeyWXOGDCYRGMSOJO-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.74
Rot. Bonds3

About (5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenylcyanamide

(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenylcyanamide (PubChem CID 15373837) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is (5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenylcyanamide.

Molecular Properties

Compound Name(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenylcyanamide
PubChem CID15373837
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenylcyanamide
SMILESCc1sc(N(C#N)c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H13N3S/c1-13-16(14-8-4-2-5-9-14)19-17(21-13)20(12-18)15-10-6-3-7-11-15/h2-11H,1H3
InChIKeyWXOGDCYRGMSOJO-UHFFFAOYSA-N
XLogP4.74
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenylcyanamide?
The IUPAC name of (5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenylcyanamide (CID 15373837) is (5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenylcyanamide.
What is the SMILES notation for (5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenylcyanamide?
The canonical SMILES for (5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenylcyanamide is Cc1sc(N(C#N)c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenylcyanamide?
The InChIKey is WXOGDCYRGMSOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-13-16(14-8-4-2-5-9-14)19-17(21-13)20(12-18)15-10-6-3-7-11-15/h2-11H,1H3.
What are the key properties of (5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenylcyanamide?
(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenylcyanamide has a molecular weight of 291.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenylcyanamide is sourced from PubChem (CID 15373837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).