N-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide

C13H16N2O3S2 — CID 127266910

IUPACN-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC[C@@H](C)O)c(-c2ccccc2)s1
InChIInChI=1S/C13H16N2O3S2/c1-9(16)8-14-20(17,18)13-12(19-10(2)15-13)11-6-4-3-5-7-11/h3-7,9,14,16H,8H2,1-2H3/t9-/m1/s1
InChIKeyMALVENMYMPUHSR-SECBINFHSA-N
MW312.42 g/mol
LogP1.78
Rot. Bonds5

About N-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide

N-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide (PubChem CID 127266910) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide
PubChem CID127266910
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC[C@@H](C)O)c(-c2ccccc2)s1
InChIInChI=1S/C13H16N2O3S2/c1-9(16)8-14-20(17,18)13-12(19-10(2)15-13)11-6-4-3-5-7-11/h3-7,9,14,16H,8H2,1-2H3/t9-/m1/s1
InChIKeyMALVENMYMPUHSR-SECBINFHSA-N
XLogP1.78
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide (CID 127266910) is N-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide is Cc1nc(S(=O)(=O)NC[C@@H](C)O)c(-c2ccccc2)s1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide?
The InChIKey is MALVENMYMPUHSR-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-9(16)8-14-20(17,18)13-12(19-10(2)15-13)11-6-4-3-5-7-11/h3-7,9,14,16H,8H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide?
N-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide is sourced from PubChem (CID 127266910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).