2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide

C9H12N4O2S3 — CID 63945805

IUPAC2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2sc(N)nc2C)cs1
InChIInChI=1S/C9H12N4O2S3/c1-5-8(17-9(10)12-5)18(14,15)11-3-7-4-16-6(2)13-7/h4,11H,3H2,1-2H3,(H2,10,12)
InChIKeyJJCNUGXKBLMWRQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.28
Rot. Bonds4

About 2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide

2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 63945805) has the molecular formula C9H12N4O2S3 and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID63945805
Molecular FormulaC9H12N4O2S3
Molecular Weight304.42 g/mol
Exact Mass304.01
IUPAC Name2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2sc(N)nc2C)cs1
InChIInChI=1S/C9H12N4O2S3/c1-5-8(17-9(10)12-5)18(14,15)11-3-7-4-16-6(2)13-7/h4,11H,3H2,1-2H3,(H2,10,12)
InChIKeyJJCNUGXKBLMWRQ-UHFFFAOYSA-N
XLogP1.28
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61282417
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 106373822
2,4,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3238536
5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110717446
5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61284002
2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63945197
2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 63946588
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-nitrobenzenesulfonamide
CID 82847743
5-amino-2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 61282243
2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
CID 61284804
2-amino-N-(2-cyclopropylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 113475570

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide (CID 63945805) is 2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide is Cc1nc(CNS(=O)(=O)c2sc(N)nc2C)cs1.
What is the InChIKey of 2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is JJCNUGXKBLMWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S3/c1-5-8(17-9(10)12-5)18(14,15)11-3-7-4-16-6(2)13-7/h4,11H,3H2,1-2H3,(H2,10,12).
What are the key properties of 2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63945805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).