2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole

C12H16N4O2S2 — CID 43742065

IUPAC2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole
SMILESCc1nc(C(C)Nc2cccc(NS(N)(=O)=O)c2)cs1
InChIInChI=1S/C12H16N4O2S2/c1-8(12-7-19-9(2)15-12)14-10-4-3-5-11(6-10)16-20(13,17)18/h3-8,14,16H,1-2H3,(H2,13,17,18)
InChIKeyLSCPMXHBFKFDIQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.24
Rot. Bonds5

About 2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole

2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole (PubChem CID 43742065) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole
PubChem CID43742065
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole
SMILESCc1nc(C(C)Nc2cccc(NS(N)(=O)=O)c2)cs1
InChIInChI=1S/C12H16N4O2S2/c1-8(12-7-19-9(2)15-12)14-10-4-3-5-11(6-10)16-20(13,17)18/h3-8,14,16H,1-2H3,(H2,13,17,18)
InChIKeyLSCPMXHBFKFDIQ-UHFFFAOYSA-N
XLogP2.24
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene
CID 63992671
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
methyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate
CID 43670294
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene
CID 43742050
N,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 43717563
3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745436
3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670116
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43670240
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
CID 43716894
5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione
CID 43670137

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole (CID 43742065) is 2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole is Cc1nc(C(C)Nc2cccc(NS(N)(=O)=O)c2)cs1.
What is the InChIKey of 2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole?
The InChIKey is LSCPMXHBFKFDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-8(12-7-19-9(2)15-12)14-10-4-3-5-11(6-10)16-20(13,17)18/h3-8,14,16H,1-2H3,(H2,13,17,18).
What are the key properties of 2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole?
2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole has a molecular weight of 312.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole is sourced from PubChem (CID 43742065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).