2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide

C11H19N3O3S2 — CID 47404403

IUPAC2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCCNS(C)(=O)=O)s1
InChIInChI=1S/C11H19N3O3S2/c1-11(2,3)10-13-7-8(18-10)9(15)12-5-6-14-19(4,16)17/h7,14H,5-6H2,1-4H3,(H,12,15)
InChIKeyXXBNDHBLUNYBGK-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.72
Rot. Bonds5

About 2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 47404403) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID47404403
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCCNS(C)(=O)=O)s1
InChIInChI=1S/C11H19N3O3S2/c1-11(2,3)10-13-7-8(18-10)9(15)12-5-6-14-19(4,16)17/h7,14H,5-6H2,1-4H3,(H,12,15)
InChIKeyXXBNDHBLUNYBGK-UHFFFAOYSA-N
XLogP0.72
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,2-ditert-butyl-1,3-thiazole-5-carboxamide
CID 47398500
N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 47398670
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 47896370
2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide
CID 47925770
2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 48571573
2-tert-butyl-N-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53516078
1-Methylsulfonyl-4-(1,3-thiazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 118739890
2-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 53537744
2-[4-(2-Tert-butyl-1,3-thiazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 48171757
N-(2-ethylsulfonylethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 60231579
2-propyl-N-(2-sulfamoylpropyl)-1,3-thiazole-5-carboxamide
CID 75396908
2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide
CID 47425444

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide (CID 47404403) is 2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCCNS(C)(=O)=O)s1.
What is the InChIKey of 2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XXBNDHBLUNYBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-11(2,3)10-13-7-8(18-10)9(15)12-5-6-14-19(4,16)17/h7,14H,5-6H2,1-4H3,(H,12,15).
What are the key properties of 2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47404403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).