(2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

C12H19N3O4S2 — CID 126829988

IUPAC(2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cnc(NC(=O)[C@H]2CCCO2)s1
InChIInChI=1S/C12H19N3O4S2/c1-12(2,3)15-21(17,18)9-7-13-11(20-9)14-10(16)8-5-4-6-19-8/h7-8,15H,4-6H2,1-3H3,(H,13,14,16)/t8-/m1/s1
InChIKeyIBXMFKCQZDXSRN-MRVPVSSYSA-N
MW333.44 g/mol
LogP1.34
Rot. Bonds4

About (2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

(2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide (PubChem CID 126829988) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
PubChem CID126829988
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC Name(2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cnc(NC(=O)[C@H]2CCCO2)s1
InChIInChI=1S/C12H19N3O4S2/c1-12(2,3)15-21(17,18)9-7-13-11(20-9)14-10(16)8-5-4-6-19-8/h7-8,15H,4-6H2,1-3H3,(H,13,14,16)/t8-/m1/s1
InChIKeyIBXMFKCQZDXSRN-MRVPVSSYSA-N
XLogP1.34
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2971267
N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2948518
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide
CID 62213558
2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide
CID 137443476
(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 675301
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1086842
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide
CID 47463711
(2R)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 27234089
methyl 3-[[2-[[(2R)-oxolane-2-carbonyl]amino]-1,3-thiazol-5-yl]methyl]benzoate
CID 95279728
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 1143583

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide (CID 126829988) is (2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide is CC(C)(C)NS(=O)(=O)c1cnc(NC(=O)[C@H]2CCCO2)s1.
What is the InChIKey of (2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is IBXMFKCQZDXSRN-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-12(2,3)15-21(17,18)9-7-13-11(20-9)14-10(16)8-5-4-6-19-8/h7-8,15H,4-6H2,1-3H3,(H,13,14,16)/t8-/m1/s1.
What are the key properties of (2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
(2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 126829988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).