N-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide

C8H14N2O2S2 — CID 103847837

IUPACN-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C8H14N2O2S2/c1-6-9-5-7(13-6)14(11,12)10-8(2,3)4/h5,10H,1-4H3
InChIKeyHDQJQASDRYWXAJ-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.53
Rot. Bonds2

About N-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide

N-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103847837) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103847837
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC NameN-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C8H14N2O2S2/c1-6-9-5-7(13-6)14(11,12)10-8(2,3)4/h5,10H,1-4H3
InChIKeyHDQJQASDRYWXAJ-UHFFFAOYSA-N
XLogP1.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Propylsulfonyl-1,3-thiazol-2-yl)methanamine
CID 155532323
US10807974, Example 96
CID 130345166
2-Methylthiazole-5-sulfonamide
CID 13517396
2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide
CID 87417112
2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide
CID 136536037
2-(Difluoromethyl)-1,3-thiazole-5-sulfonamide
CID 146571332
N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 104953022
N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120404588
(Tert-butyl)(1,3-thiazol-2-ylsulfonyl)amine
CID 15813414
2-Methylaminomethyl-1,3-thiazole-5-sulphonamide
CID 21957438
2-(Propan-2-yl)-1,3-thiazole-5-sulfonamide
CID 22019485
(Tert-butyl)[(5-chloro(1,3-thiazol-2-yl))sulfonyl]amine
CID 22064471

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide (CID 103847837) is N-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is HDQJQASDRYWXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-6-9-5-7(13-6)14(11,12)10-8(2,3)4/h5,10H,1-4H3.
What are the key properties of N-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide?
N-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 234.35 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103847837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).