N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide

C9H16N2O3S2 — CID 64573299

IUPACN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1nc(C(C)O)cs1
InChIInChI=1S/C9H16N2O3S2/c1-6(2)5-16(13,14)11-9-10-8(4-15-9)7(3)12/h4,6-7,12H,5H2,1-3H3,(H,10,11)
InChIKeyDJSBXTWFNIAROC-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.59
Rot. Bonds5

About N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide (PubChem CID 64573299) has the molecular formula C9H16N2O3S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide
PubChem CID64573299
Molecular FormulaC9H16N2O3S2
Molecular Weight264.37 g/mol
Exact Mass264.06
IUPAC NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1nc(C(C)O)cs1
InChIInChI=1S/C9H16N2O3S2/c1-6(2)5-16(13,14)11-9-10-8(4-15-9)7(3)12/h4,6-7,12H,5H2,1-3H3,(H,10,11)
InChIKeyDJSBXTWFNIAROC-UHFFFAOYSA-N
XLogP1.59
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropane-1-sulfonamide
CID 64572438
ethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate
CID 64543438
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide
CID 64545476
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
CID 105361317
methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate
CID 138673546
5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 64571587
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 64572227
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 64573728
3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 64543445
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 64543448
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide
CID 114753182
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-propan-2-yloxyacetamide
CID 112603240

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide (CID 64573299) is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)Nc1nc(C(C)O)cs1.
What is the InChIKey of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide?
The InChIKey is DJSBXTWFNIAROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2/c1-6(2)5-16(13,14)11-9-10-8(4-15-9)7(3)12/h4,6-7,12H,5H2,1-3H3,(H,10,11).
What are the key properties of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide?
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide has a molecular weight of 264.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 64573299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).