(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide

C11H14N4O4S2 — CID 33234302

IUPAC(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1nccs1
InChIInChI=1S/C11H14N4O4S2/c1-6-9(8(3)19-14-6)21(17,18)15-7(2)10(16)13-11-12-4-5-20-11/h4-5,7,15H,1-3H3,(H,12,13,16)/t7-/m0/s1
InChIKeyALXLBFDCILGTLJ-ZETCQYMHSA-N
MW330.39 g/mol
LogP1.05
Rot. Bonds5

About (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 33234302) has the molecular formula C11H14N4O4S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID33234302
Molecular FormulaC11H14N4O4S2
Molecular Weight330.39 g/mol
Exact Mass330.05
IUPAC Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1nccs1
InChIInChI=1S/C11H14N4O4S2/c1-6-9(8(3)19-14-6)21(17,18)15-7(2)10(16)13-11-12-4-5-20-11/h4-5,7,15H,1-3H3,(H,12,13,16)/t7-/m0/s1
InChIKeyALXLBFDCILGTLJ-ZETCQYMHSA-N
XLogP1.05
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide (CID 33234302) is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide is Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1nccs1.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is ALXLBFDCILGTLJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N4O4S2/c1-6-9(8(3)19-14-6)21(17,18)15-7(2)10(16)13-11-12-4-5-20-11/h4-5,7,15H,1-3H3,(H,12,13,16)/t7-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 330.39 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 33234302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).