N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C10H13N3O4S2 — CID 64573728

IUPACN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1nc(C(C)O)cs1
InChIInChI=1S/C10H13N3O4S2/c1-5-9(7(3)17-12-5)19(15,16)13-10-11-8(4-18-10)6(2)14/h4,6,14H,1-3H3,(H,11,13)
InChIKeyKBSYQRISLVKDMA-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.60
Rot. Bonds4

About N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 64573728) has the molecular formula C10H13N3O4S2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID64573728
Molecular FormulaC10H13N3O4S2
Molecular Weight303.37 g/mol
Exact Mass303.03
IUPAC NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1nc(C(C)O)cs1
InChIInChI=1S/C10H13N3O4S2/c1-5-9(7(3)17-12-5)19(15,16)13-10-11-8(4-18-10)6(2)14/h4,6,14H,1-3H3,(H,11,13)
InChIKeyKBSYQRISLVKDMA-UHFFFAOYSA-N
XLogP1.60
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 64573728) is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1nc(C(C)O)cs1.
What is the InChIKey of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is KBSYQRISLVKDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S2/c1-5-9(7(3)17-12-5)19(15,16)13-10-11-8(4-18-10)6(2)14/h4,6,14H,1-3H3,(H,11,13).
What are the key properties of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 303.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 64573728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).