2,4-dimethyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,3-thiazole-5-sulfonamide

C16H18N4O3S2 — CID 126782960

IUPAC2,4-dimethyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)s1
InChIInChI=1S/C16H18N4O3S2/c1-9-16(24-10(2)17-9)25(21,22)20-11-5-6-12-13(8-11)19-15(18-12)14-4-3-7-23-14/h5-6,8,14,20H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyHFSURKSMQCGENT-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.29
Rot. Bonds4

About 2,4-dimethyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,3-thiazole-5-sulfonamide

2,4-dimethyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 126782960) has the molecular formula C16H18N4O3S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,3-thiazole-5-sulfonamide
PubChem CID126782960
Molecular FormulaC16H18N4O3S2
Molecular Weight378.48 g/mol
Exact Mass378.08
IUPAC Name2,4-dimethyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)s1
InChIInChI=1S/C16H18N4O3S2/c1-9-16(24-10(2)17-9)25(21,22)20-11-5-6-12-13(8-11)19-15(18-12)14-4-3-7-23-14/h5-6,8,14,20H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyHFSURKSMQCGENT-UHFFFAOYSA-N
XLogP3.29
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2,4-dimethyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,3-thiazole-5-sulfonamide (CID 126782960) is 2,4-dimethyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)s1.
What is the InChIKey of 2,4-dimethyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is HFSURKSMQCGENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S2/c1-9-16(24-10(2)17-9)25(21,22)20-11-5-6-12-13(8-11)19-15(18-12)14-4-3-7-23-14/h5-6,8,14,20H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 2,4-dimethyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,3-thiazole-5-sulfonamide?
2,4-dimethyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 378.48 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 126782960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).