N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

C12H17N3O3S3 — CID 154764560

IUPACN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCC(C)(C)c1csc(CCNS(=O)(=O)c2c[nH]c(=O)s2)n1
InChIInChI=1S/C12H17N3O3S3/c1-12(2,3)8-7-19-9(15-8)4-5-14-21(17,18)10-6-13-11(16)20-10/h6-7,14H,4-5H2,1-3H3,(H,13,16)
InChIKeyBOMGEOQEDYARHZ-UHFFFAOYSA-N
MW347.49 g/mol
LogP1.71
Rot. Bonds5

About N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 154764560) has the molecular formula C12H17N3O3S3 and a molecular weight of 347.49 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID154764560
Molecular FormulaC12H17N3O3S3
Molecular Weight347.49 g/mol
Exact Mass347.04
IUPAC NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCC(C)(C)c1csc(CCNS(=O)(=O)c2c[nH]c(=O)s2)n1
InChIInChI=1S/C12H17N3O3S3/c1-12(2,3)8-7-19-9(15-8)4-5-14-21(17,18)10-6-13-11(16)20-10/h6-7,14H,4-5H2,1-3H3,(H,13,16)
InChIKeyBOMGEOQEDYARHZ-UHFFFAOYSA-N
XLogP1.71
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide with MolForge

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Related Compounds

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 54773857
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)ethanesulfonamide
CID 126819342
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47371845
2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374307
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide
CID 120503773
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one
CID 83130975
2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 114806546
4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380837
1-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119878948
3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110739236
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one
CID 116625212

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 154764560) is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is CC(C)(C)c1csc(CCNS(=O)(=O)c2c[nH]c(=O)s2)n1.
What is the InChIKey of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is BOMGEOQEDYARHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S3/c1-12(2,3)8-7-19-9(15-8)4-5-14-21(17,18)10-6-13-11(16)20-10/h6-7,14H,4-5H2,1-3H3,(H,13,16).
What are the key properties of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 347.49 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 154764560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).