2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C16H15N3O2S2 — CID 9457624

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)oc1C
InChIInChI=1S/C16H15N3O2S2/c1-10-11(2)21-16(17-10)23-9-14(20)19-15-18-13(8-22-15)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyRHFJNULPCUUGPY-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.15
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 9457624) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID9457624
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)oc1C
InChIInChI=1S/C16H15N3O2S2/c1-10-11(2)21-16(17-10)23-9-14(20)19-15-18-13(8-22-15)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyRHFJNULPCUUGPY-UHFFFAOYSA-N
XLogP4.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-phenylacetamide
CID 9456919
2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3165389
N-(4-phenyl-1,3-thiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 1426864
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3971135
2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 7267669
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2336920
4-methyl-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide
CID 18900524
(2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid
CID 2341123
2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135492064
2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 17378112
2-(4-chlorophenyl)sulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203551
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 26893874

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 9457624) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is Cc1nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is RHFJNULPCUUGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-10-11(2)21-16(17-10)23-9-14(20)19-15-18-13(8-22-15)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 345.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 9457624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).