N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide

C7H12N2O3S2 — CID 170974434

IUPACN-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCCO)s1
InChIInChI=1S/C7H12N2O3S2/c1-5-7(13-6(2)9-5)14(11,12)8-3-4-10/h8,10H,3-4H2,1-2H3
InChIKeyDDUPAKVUAOKWDA-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.03
Rot. Bonds4

About N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide

N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 170974434) has the molecular formula C7H12N2O3S2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID170974434
Molecular FormulaC7H12N2O3S2
Molecular Weight236.32 g/mol
Exact Mass236.03
IUPAC NameN-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCCO)s1
InChIInChI=1S/C7H12N2O3S2/c1-5-7(13-6(2)9-5)14(11,12)8-3-4-10/h8,10H,3-4H2,1-2H3
InChIKeyDDUPAKVUAOKWDA-UHFFFAOYSA-N
XLogP0.03
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 170974434) is N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)NCCO)s1.
What is the InChIKey of N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is DDUPAKVUAOKWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S2/c1-5-7(13-6(2)9-5)14(11,12)8-3-4-10/h8,10H,3-4H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 236.32 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 170974434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).