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

C10H14N4O3S2 — CID 64572227

IUPACN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2nc(C(C)O)cs2)cn1C
InChIInChI=1S/C10H14N4O3S2/c1-6(15)8-5-18-10(12-8)13-19(16,17)9-4-14(3)7(2)11-9/h4-6,15H,1-3H3,(H,12,13)
InChIKeyZYBSFVAUEZQWRK-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.04
Rot. Bonds4

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

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 64572227) has the molecular formula C10H14N4O3S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID64572227
Molecular FormulaC10H14N4O3S2
Molecular Weight302.38 g/mol
Exact Mass302.05
IUPAC NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2nc(C(C)O)cs2)cn1C
InChIInChI=1S/C10H14N4O3S2/c1-6(15)8-5-18-10(12-8)13-19(16,17)9-4-14(3)7(2)11-9/h4-6,15H,1-3H3,(H,12,13)
InChIKeyZYBSFVAUEZQWRK-UHFFFAOYSA-N
XLogP1.04
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.04
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]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide (CID 64572227) is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2nc(C(C)O)cs2)cn1C.
What is the InChIKey of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is ZYBSFVAUEZQWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S2/c1-6(15)8-5-18-10(12-8)13-19(16,17)9-4-14(3)7(2)11-9/h4-6,15H,1-3H3,(H,12,13).
What are the key properties of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide?
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 302.38 g/mol, XLogP of 1.04, 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]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 64572227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).