2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole

C11H14N4O2S2 — CID 54868489

IUPAC2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
SMILESCc1ncc(CNc2cccc(NS(N)(=O)=O)c2)s1
InChIInChI=1S/C11H14N4O2S2/c1-8-13-6-11(18-8)7-14-9-3-2-4-10(5-9)15-19(12,16)17/h2-6,14-15H,7H2,1H3,(H2,12,16,17)
InChIKeyBEWCUXLZMAWOMO-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.68
Rot. Bonds5

About 2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole

2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole (PubChem CID 54868489) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
PubChem CID54868489
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
SMILESCc1ncc(CNc2cccc(NS(N)(=O)=O)c2)s1
InChIInChI=1S/C11H14N4O2S2/c1-8-13-6-11(18-8)7-14-9-3-2-4-10(5-9)15-19(12,16)17/h2-6,14-15H,7H2,1H3,(H2,12,16,17)
InChIKeyBEWCUXLZMAWOMO-UHFFFAOYSA-N
XLogP1.68
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
CID 60983417
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 54868850
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941546
2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene
CID 43742009
N-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 54868652
5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole
CID 43742059
2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine
CID 62749480
N-[(2-methyl-1,3-thiazol-5-yl)methyl]naphthalen-2-amine
CID 60942096
3-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60940843
1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
CID 61323721
3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868679

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole (CID 54868489) is 2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole is Cc1ncc(CNc2cccc(NS(N)(=O)=O)c2)s1.
What is the InChIKey of 2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole?
The InChIKey is BEWCUXLZMAWOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-8-13-6-11(18-8)7-14-9-3-2-4-10(5-9)15-19(12,16)17/h2-6,14-15H,7H2,1H3,(H2,12,16,17).
What are the key properties of 2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole?
2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole has a molecular weight of 298.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole is sourced from PubChem (CID 54868489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).