(2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide

C19H15N3OS — CID 97070615

IUPAC(2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H15N3OS/c1-13-7-9-14(10-8-13)17-12-24-19(22-17)16(11-20)18(23)21-15-5-3-2-4-6-15/h2-10,12,16H,1H3,(H,21,23)/t16-/m0/s1
InChIKeyQFEZGRXHDYIHIH-INIZCTEOSA-N
MW333.42 g/mol
LogP4.36
Rot. Bonds4

About (2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide

(2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 97070615) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is (2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID97070615
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name(2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H15N3OS/c1-13-7-9-14(10-8-13)17-12-24-19(22-17)16(11-20)18(23)21-15-5-3-2-4-6-15/h2-10,12,16H,1H3,(H,21,23)/t16-/m0/s1
InChIKeyQFEZGRXHDYIHIH-INIZCTEOSA-N
XLogP4.36
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of (2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide (CID 97070615) is (2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for (2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for (2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide is Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of (2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is QFEZGRXHDYIHIH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-13-7-9-14(10-8-13)17-12-24-19(22-17)16(11-20)18(23)21-15-5-3-2-4-6-15/h2-10,12,16H,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
(2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 333.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 97070615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).