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

C12H16N4O2S2 — CID 60983417

IUPAC2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
SMILESCCc1ncc(CNc2cccc(NS(N)(=O)=O)c2)s1
InChIInChI=1S/C12H16N4O2S2/c1-2-12-15-8-11(19-12)7-14-9-4-3-5-10(6-9)16-20(13,17)18/h3-6,8,14,16H,2,7H2,1H3,(H2,13,17,18)
InChIKeyMSAFWPKNSQFFPV-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.93
Rot. Bonds6

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

2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole (PubChem CID 60983417) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
PubChem CID60983417
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
SMILESCCc1ncc(CNc2cccc(NS(N)(=O)=O)c2)s1
InChIInChI=1S/C12H16N4O2S2/c1-2-12-15-8-11(19-12)7-14-9-4-3-5-10(6-9)16-20(13,17)18/h3-6,8,14,16H,2,7H2,1H3,(H2,13,17,18)
InChIKeyMSAFWPKNSQFFPV-UHFFFAOYSA-N
XLogP1.93
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole?
The IUPAC name of 2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole (CID 60983417) is 2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole is CCc1ncc(CNc2cccc(NS(N)(=O)=O)c2)s1.
What is the InChIKey of 2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole?
The InChIKey is MSAFWPKNSQFFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-2-12-15-8-11(19-12)7-14-9-4-3-5-10(6-9)16-20(13,17)18/h3-6,8,14,16H,2,7H2,1H3,(H2,13,17,18).
What are the key properties of 2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole?
2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole has a molecular weight of 312.42 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole is sourced from PubChem (CID 60983417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).