N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C15H14N4OS2 — CID 1080938

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)n1
InChIInChI=1S/C15H14N4OS2/c1-10-8-21-15(17-10)19-13(20)9-22-14-16-7-12(18-14)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,18)(H,17,19,20)
InChIKeyOYWZJWBSXKSLEF-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.57
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 1080938) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID1080938
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)n1
InChIInChI=1S/C15H14N4OS2/c1-10-8-21-15(17-10)19-13(20)9-22-14-16-7-12(18-14)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,18)(H,17,19,20)
InChIKeyOYWZJWBSXKSLEF-UHFFFAOYSA-N
XLogP3.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 1080938) is N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is OYWZJWBSXKSLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS2/c1-10-8-21-15(17-10)19-13(20)9-22-14-16-7-12(18-14)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,18)(H,17,19,20).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 330.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1080938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).