N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide

C20H15N3OS2 — CID 18293281

IUPACN-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(/N=c1/sccn1Cc1ccccc1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H15N3OS2/c24-18(17-14-26-19(21-17)16-9-5-2-6-10-16)22-20-23(11-12-25-20)13-15-7-3-1-4-8-15/h1-12,14H,13H2/b22-20+
InChIKeyRDJYLKZDJLIBNR-LSDHQDQOSA-N
MW377.49 g/mol
LogP4.46
Rot. Bonds4

About N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide

N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 18293281) has the molecular formula C20H15N3OS2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID18293281
Molecular FormulaC20H15N3OS2
Molecular Weight377.49 g/mol
Exact Mass377.07
IUPAC NameN-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(/N=c1/sccn1Cc1ccccc1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H15N3OS2/c24-18(17-14-26-19(21-17)16-9-5-2-6-10-16)22-20-23(11-12-25-20)13-15-7-3-1-4-8-15/h1-12,14H,13H2/b22-20+
InChIKeyRDJYLKZDJLIBNR-LSDHQDQOSA-N
XLogP4.46
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide
CID 38272852
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 18269929
N-(3-benzyl-1,3-thiazol-2-ylidene)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24607678
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide
CID 9194190
2-(2-amino-2-oxoethoxy)-N-(3-benzyl-1,3-thiazol-2-ylidene)benzamide
CID 24524444
2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide
CID 34429881
N-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 18288842
6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 24905713
1-(3-benzyl-1,3-thiazol-2-ylidene)-3-propan-2-ylthiourea
CID 9098389
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 38162185
N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide
CID 18209405
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-oxo-3H-phthalazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide (CID 18293281) is N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide is O=C(/N=c1/sccn1Cc1ccccc1)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is RDJYLKZDJLIBNR-LSDHQDQOSA-N. The full InChI is InChI=1S/C20H15N3OS2/c24-18(17-14-26-19(21-17)16-9-5-2-6-10-16)22-20-23(11-12-25-20)13-15-7-3-1-4-8-15/h1-12,14H,13H2/b22-20+.
What are the key properties of N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18293281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).