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

C12H15N3O2S2 — CID 112777799

IUPACN-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CSCc2c(C)noc2C)cs1
InChIInChI=1S/C12H15N3O2S2/c1-7-11(8(2)17-15-7)6-18-4-10-5-19-12(14-10)13-9(3)16/h5H,4,6H2,1-3H3,(H,13,14,16)
InChIKeyMHNZHAQVJSRKQZ-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.14
Rot. Bonds5

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

N-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 112777799) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID112777799
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC NameN-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CSCc2c(C)noc2C)cs1
InChIInChI=1S/C12H15N3O2S2/c1-7-11(8(2)17-15-7)6-18-4-10-5-19-12(14-10)13-9(3)16/h5H,4,6H2,1-3H3,(H,13,14,16)
InChIKeyMHNZHAQVJSRKQZ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059
N-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 75456632
3-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-2-aminopropanoic acid
CID 43414247
N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 66233966
3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole
CID 71936185
ethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 18139425
ethyl 2-[2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 29283607
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetic acid
CID 2106598
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4788646
N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 47863573
N-tert-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 51139661
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78843398

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 112777799) is N-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CSCc2c(C)noc2C)cs1.
What is the InChIKey of N-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is MHNZHAQVJSRKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-7-11(8(2)17-15-7)6-18-4-10-5-19-12(14-10)13-9(3)16/h5H,4,6H2,1-3H3,(H,13,14,16).
What are the key properties of N-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 297.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 112777799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).