N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide

C13H17N3O3S2 — CID 95330501

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide
SMILESCc1cc(NC(=O)C[S@@](=O)Cc2csc(C(C)C)n2)no1
InChIInChI=1S/C13H17N3O3S2/c1-8(2)13-14-10(5-20-13)6-21(18)7-12(17)15-11-4-9(3)19-16-11/h4-5,8H,6-7H2,1-3H3,(H,15,16,17)/t21-/m0/s1
InChIKeyXYQCQONEHDZNMT-NRFANRHFSA-N
MW327.43 g/mol
LogP2.45
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide (PubChem CID 95330501) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide
PubChem CID95330501
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide
SMILESCc1cc(NC(=O)C[S@@](=O)Cc2csc(C(C)C)n2)no1
InChIInChI=1S/C13H17N3O3S2/c1-8(2)13-14-10(5-20-13)6-21(18)7-12(17)15-11-4-9(3)19-16-11/h4-5,8H,6-7H2,1-3H3,(H,15,16,17)/t21-/m0/s1
InChIKeyXYQCQONEHDZNMT-NRFANRHFSA-N
XLogP2.45
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfinyl]propanamide
CID 95571915
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide
CID 154772767
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 95571839
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47031583
3-(2-amino-1,3-thiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110330212
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetamide
CID 133359021
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide
CID 42892126
N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 95317793
N-(2,5-dimethylphenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38884969
N-(5-methyl-2-pyridinyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 39718552
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide (CID 95330501) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide is Cc1cc(NC(=O)C[S@@](=O)Cc2csc(C(C)C)n2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide?
The InChIKey is XYQCQONEHDZNMT-NRFANRHFSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-8(2)13-14-10(5-20-13)6-21(18)7-12(17)15-11-4-9(3)19-16-11/h4-5,8H,6-7H2,1-3H3,(H,15,16,17)/t21-/m0/s1.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide is sourced from PubChem (CID 95330501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).