N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide

C16H27N3O5S2 — CID 67123031

IUPACN-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide
SMILESCC(C)(CO)c1nnc(NC(=O)C(C)(C)S(=O)(=O)C[C@@H]2CCCCO2)s1
InChIInChI=1S/C16H27N3O5S2/c1-15(2,10-20)13-18-19-14(25-13)17-12(21)16(3,4)26(22,23)9-11-7-5-6-8-24-11/h11,20H,5-10H2,1-4H3,(H,17,19,21)/t11-/m0/s1
InChIKeyOPOIZRKNKQBUFM-NSHDSACASA-N
MW405.54 g/mol
LogP1.51
Rot. Bonds7

About N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide

N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide (PubChem CID 67123031) has the molecular formula C16H27N3O5S2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide
PubChem CID67123031
Molecular FormulaC16H27N3O5S2
Molecular Weight405.54 g/mol
Exact Mass405.14
IUPAC NameN-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide
SMILESCC(C)(CO)c1nnc(NC(=O)C(C)(C)S(=O)(=O)C[C@@H]2CCCCO2)s1
InChIInChI=1S/C16H27N3O5S2/c1-15(2,10-20)13-18-19-14(25-13)17-12(21)16(3,4)26(22,23)9-11-7-5-6-8-24-11/h11,20H,5-10H2,1-4H3,(H,17,19,21)/t11-/m0/s1
InChIKeyOPOIZRKNKQBUFM-NSHDSACASA-N
XLogP1.51
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methyl-3-[[(2S)-oxan-2-yl]methylsulfonyl]butan-2-one
CID 58042627
N-(oxan-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448389
N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 66169492
(2S)-2-(tert-butylsulfonylmethyl)oxolane
CID 165172638
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55954261
N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115363119
2-cyclopentylsulfonyl-N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide
CID 59267898
2,2-dimethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320669
N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 18430303
5-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615401
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 59253303
N-(1,3-benzothiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 25004712

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide?
The IUPAC name of N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide (CID 67123031) is N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide.
What is the SMILES notation for N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide?
The canonical SMILES for N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide is CC(C)(CO)c1nnc(NC(=O)C(C)(C)S(=O)(=O)C[C@@H]2CCCCO2)s1.
What is the InChIKey of N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide?
The InChIKey is OPOIZRKNKQBUFM-NSHDSACASA-N. The full InChI is InChI=1S/C16H27N3O5S2/c1-15(2,10-20)13-18-19-14(25-13)17-12(21)16(3,4)26(22,23)9-11-7-5-6-8-24-11/h11,20H,5-10H2,1-4H3,(H,17,19,21)/t11-/m0/s1.
What are the key properties of N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide?
N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide has a molecular weight of 405.54 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methyl-2-[[(2S)-oxan-2-yl]methylsulfonyl]propanamide is sourced from PubChem (CID 67123031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).