N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide

C7H12N2O2S2 — CID 47146723

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide
SMILESCc1nc(CCNS(C)(=O)=O)cs1
InChIInChI=1S/C7H12N2O2S2/c1-6-9-7(5-12-6)3-4-8-13(2,10)11/h5,8H,3-4H2,1-2H3
InChIKeyUUVJXIYZLJSVQX-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.54
Rot. Bonds4

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide (PubChem CID 47146723) has the molecular formula C7H12N2O2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide
PubChem CID47146723
Molecular FormulaC7H12N2O2S2
Molecular Weight220.32 g/mol
Exact Mass220.03
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide
SMILESCc1nc(CCNS(C)(=O)=O)cs1
InChIInChI=1S/C7H12N2O2S2/c1-6-9-7(5-12-6)3-4-8-13(2,10)11/h5,8H,3-4H2,1-2H3
InChIKeyUUVJXIYZLJSVQX-UHFFFAOYSA-N
XLogP0.54
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methyl-1,3-thiazol-4-yl)ethan-1-amine
CID 7536518
2-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 3422636
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 3241103
3-(4-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 15034992
2-[2-(Propan-2-yl)-1,3-thiazol-4-yl]ethan-1-amine
CID 25219193
2-(2-Methyl-1,3-thiazol-4-yl)ethanethioamide
CID 25312775
2-(2-Tert-butyl-1,3-thiazol-4-yl)ethan-1-amine
CID 62928439
N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide
CID 71869004
2-(2-Ethyl-1,3-thiazol-4-yl)ethan-1-amine
CID 28064760
4-Ethyl-1,3-thiazole-2-sulfonamide
CID 62961746
3-(4-Ethyl-1,3-thiazol-2-yl)propan-1-amine
CID 24261848
(2-(2-((Methylthio)methyl)-1,3-thiazol-4-yl)ethyl)amine
CID 45791210

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide (CID 47146723) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide is Cc1nc(CCNS(C)(=O)=O)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide?
The InChIKey is UUVJXIYZLJSVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2/c1-6-9-7(5-12-6)3-4-8-13(2,10)11/h5,8H,3-4H2,1-2H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide has a molecular weight of 220.32 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 47146723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).