N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C12H20N2O4S2 — CID 60984802

IUPACN-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H20N2O4S2/c1-9-11(19-12(16)13-9)20(17,18)14(7-8-15)10-5-3-2-4-6-10/h10,15H,2-8H2,1H3,(H,13,16)
InChIKeyNZTCUTSFPGQFJF-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.06
Rot. Bonds5

About N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60984802) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60984802
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC NameN-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H20N2O4S2/c1-9-11(19-12(16)13-9)20(17,18)14(7-8-15)10-5-3-2-4-6-10/h10,15H,2-8H2,1H3,(H,13,16)
InChIKeyNZTCUTSFPGQFJF-UHFFFAOYSA-N
XLogP1.06
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984258
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61046493
N-(2-hydroxyethyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide
CID 43574652
N-cyclohexyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414836
N-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide
CID 54916628
N-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60729636
N-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
CID 60724898
5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54998995
N-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 102995737
5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950437
N-cyclopropyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide
CID 60724764
2-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 102675724

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60984802) is N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is NZTCUTSFPGQFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-9-11(19-12(16)13-9)20(17,18)14(7-8-15)10-5-3-2-4-6-10/h10,15H,2-8H2,1H3,(H,13,16).
What are the key properties of N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 320.44 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60984802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).