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

C12H15N3O2S2 — CID 4788646

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CSCc2c(C)noc2C)s1
InChIInChI=1S/C12H15N3O2S2/c1-7-4-13-12(19-7)14-11(16)6-18-5-10-8(2)15-17-9(10)3/h4H,5-6H2,1-3H3,(H,13,14,16)
InChIKeyNJSMSKKBVAHEAE-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.93
Rot. Bonds5

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4788646) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID4788646
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CSCc2c(C)noc2C)s1
InChIInChI=1S/C12H15N3O2S2/c1-7-4-13-12(19-7)14-11(16)6-18-5-10-8(2)15-17-9(10)3/h4H,5-6H2,1-3H3,(H,13,14,16)
InChIKeyNJSMSKKBVAHEAE-UHFFFAOYSA-N
XLogP2.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 24818075
N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 47265578
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide
CID 43052396
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide
CID 60623814
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78843398
N-tert-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 51139661
3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 2171476
N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18168523
N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 7959804
N-cyano-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 79194350
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetic acid
CID 2106598
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 30874724

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 4788646) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CSCc2c(C)noc2C)s1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is NJSMSKKBVAHEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-7-4-13-12(19-7)14-11(16)6-18-5-10-8(2)15-17-9(10)3/h4H,5-6H2,1-3H3,(H,13,14,16).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 297.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4788646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).